#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jae h LEU 5 N 0.00 0.25 -8.24 0.64 5.85 -2.01 -3.46 115.31 108.34 2jae h LEU 5 Ca 0.00 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 2jae h LEU 5 Cb 0.00 -0.07 -0.15 0.00 0.37 0.00 0.00 40.66 40.81 2jae h LEU 5 CO 0.00 0.49 -0.68 0.27 -0.34 0.00 0.00 178.44 178.18 2jae s ILE 6 N -5.01 0.23 1.09 4.05 -4.36 -1.26 -5.00 121.20 110.92 2jae s ILE 6 Ca -0.14 -1.81 -0.18 0.00 -0.26 0.00 0.00 60.65 58.25 2jae s ILE 6 Cb 0.06 -1.52 0.26 0.00 1.25 0.00 0.00 42.46 42.50 2jae s ILE 6 CO 0.71 -1.00 1.22 0.61 0.24 0.00 0.00 174.94 176.73 2jae n GLY 7 N 0.11 -2.08 3.74 6.27 0.00 -1.26 -4.88 105.19 107.09 2jae n GLY 7 Ca -0.14 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 2jae n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jae s LYS 8 N -5.70 4.53 0.38 1.61 -0.14 -1.26 -4.76 119.74 114.39 2jae s LYS 8 Ca 0.73 1.83 -0.24 0.00 -1.36 0.00 0.00 55.97 56.92 2jae s LYS 8 Cb -0.04 -3.25 -0.09 0.00 -1.68 0.00 0.00 37.83 32.77 2jae s LYS 8 CO 0.53 -0.02 1.02 0.54 -0.76 0.00 0.00 175.35 176.66 2jae s VAL 9 N -0.18 3.88 -0.14 3.17 0.11 0.26 -5.04 120.40 122.46 2jae s VAL 9 Ca 0.51 1.46 -0.12 0.00 -2.93 0.00 0.00 61.98 60.90 2jae s VAL 9 Cb -0.32 -3.76 -0.05 0.00 -1.53 0.00 0.00 36.38 30.72 2jae s VAL 9 CO 0.37 0.03 0.25 -0.54 -3.33 0.00 0.00 175.10 171.87 2jae s LYS 10 N -2.41 4.05 1.57 1.54 3.01 -1.26 -4.90 119.74 121.35 2jae s LYS 10 Ca 0.56 0.03 0.00 0.00 -1.01 0.00 0.00 55.97 55.55 2jae s LYS 10 Cb -0.20 -3.36 0.00 0.00 -1.01 0.00 0.00 37.83 33.26 2jae s LYS 10 CO 0.26 0.41 0.00 0.41 0.51 0.00 0.00 175.35 176.94 2jae n GLY 11 N 2.96 -1.71 3.43 -3.33 0.00 -1.26 -4.84 105.19 100.44 2jae n GLY 11 Ca -0.14 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 2jae n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jae s SER 12 N -4.00 5.25 -0.05 1.61 0.15 -1.26 -4.97 113.70 110.42 2jae s SER 12 Ca 0.00 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.26 2jae s SER 12 Cb 0.00 -1.94 0.02 0.00 -1.71 0.00 0.00 66.02 62.39 2jae s SER 12 CO 0.00 -0.10 0.12 -1.00 1.20 0.00 0.00 173.24 173.46 2jae s HIS 13 N 1.60 -0.13 0.10 3.44 4.02 -1.26 -5.08 115.29 117.98 2jae s HIS 13 Ca 0.05 0.35 0.09 0.00 1.02 0.00 0.00 55.06 56.58 2jae s HIS 13 Cb -0.16 -0.01 -0.03 0.00 -1.02 0.00 0.00 32.58 31.36 2jae s HIS 13 CO 0.04 -0.09 -0.24 -1.54 1.02 0.00 0.00 174.74 173.92 2jae s SER 14 N 0.45 2.97 -0.01 1.40 1.04 -1.26 -1.17 113.70 117.12 2jae s SER 14 Ca -0.03 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.74 2jae s SER 14 Cb -0.05 -0.21 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 2jae s SER 14 CO -0.02 0.16 -0.06 -0.69 0.98 0.00 0.00 173.24 173.62 2jae s VAL 15 N -1.00 0.46 -0.15 5.02 1.01 -0.05 -2.07 120.40 123.61 2jae s VAL 15 Ca 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2jae s VAL 15 Cb -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2jae s VAL 15 CO 0.04 0.14 -0.03 0.54 0.00 0.00 0.00 175.10 175.79 2jae s VAL 16 N -0.01 3.96 -0.21 2.92 0.11 -0.41 -2.03 120.40 124.72 2jae s VAL 16 Ca 0.01 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2jae s VAL 16 Cb -0.04 -2.73 -0.01 0.00 -1.53 0.00 0.00 36.38 32.06 2jae s VAL 16 CO -0.00 0.50 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.55 2jae s VAL 17 N 0.27 3.61 -0.38 2.04 1.01 0.51 -1.14 120.40 126.33 2jae s VAL 17 Ca -0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2jae s VAL 17 Cb -0.14 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2jae s VAL 17 CO 0.03 0.42 0.45 -0.76 0.00 0.00 0.00 175.10 175.24 2jae s LEU 18 N 1.32 4.57 0.00 3.92 1.02 0.45 -0.72 118.68 129.24 2jae s LEU 18 Ca 0.04 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.85 2jae s LEU 18 Cb -0.14 -2.45 0.00 0.00 0.02 0.00 0.00 46.19 43.61 2jae s LEU 18 CO -0.01 -0.50 0.00 0.61 0.02 0.00 0.00 176.35 176.48 2jae n GLY 19 N 4.97 1.72 2.35 -3.19 0.00 0.78 -0.97 105.19 110.85 2jae n GLY 19 Ca -0.07 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 2jae n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jae n GLY 20 N 2.96 6.04 0.00 -0.02 0.00 -1.26 -4.03 105.19 108.89 2jae n GLY 20 Ca 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.44 2jae n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jae n GLY 21 N -0.67 -0.32 0.22 -0.02 0.00 -1.26 -1.15 105.19 101.99 2jae n GLY 21 Ca 0.49 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 2jae n GLY 21 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jae h PRO 22 N 0.00 0.35 -0.46 1.61 0.11 -1.94 -0.30 132.00 131.37 2jae h PRO 22 Ca 0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 2jae h PRO 22 Cb 0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 2jae h PRO 22 CO 0.00 0.23 0.11 0.00 -0.21 0.00 0.00 178.00 178.14 2jae h ALA 23 N 1.40 0.60 -0.27 -0.75 0.00 -1.93 -0.74 119.26 117.57 2jae h ALA 23 Ca 0.29 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2jae h ALA 23 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jae h ALA 23 CO -0.30 0.28 -0.11 0.78 0.00 0.00 0.00 179.25 179.90 2jae h GLY 24 N 0.61 0.59 1.04 0.00 0.00 -1.63 -0.99 103.07 102.69 2jae h GLY 24 Ca 0.14 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 2jae h GLY 24 CO 0.00 0.47 -0.17 1.41 0.00 0.00 0.00 176.54 178.25 2jae h LEU 25 N 0.28 0.91 -0.50 3.11 3.38 -1.04 -1.24 115.31 120.21 2jae h LEU 25 Ca 0.06 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2jae h LEU 25 Cb 0.60 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2jae h LEU 25 CO 0.03 1.09 0.29 0.00 0.09 0.00 0.00 178.44 179.94 2jae h SER 27 N 0.67 -0.29 -0.70 0.00 0.02 -1.01 -1.30 113.55 110.95 2jae h SER 27 Ca 0.18 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2jae h SER 27 Cb 0.03 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2jae h SER 27 CO -0.03 -0.13 0.30 0.00 -1.14 0.00 0.00 176.83 175.84 2jae h ALA 28 N 0.95 0.90 -0.19 3.77 0.00 -1.03 -0.55 119.26 123.12 2jae h ALA 28 Ca 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jae h ALA 28 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jae h ALA 28 CO -0.17 0.50 0.09 0.35 0.00 0.00 0.00 179.25 180.02 2jae h PHE 29 N 0.98 0.16 -0.22 0.00 3.57 -0.76 -0.27 116.94 120.40 2jae h PHE 29 Ca 0.24 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.56 2jae h PHE 29 Cb 0.17 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2jae h PHE 29 CO 0.01 0.09 -0.59 0.93 -2.23 0.00 0.00 178.31 176.51 2jae h GLU 30 N 0.19 0.72 -0.52 1.11 4.39 -1.05 -2.08 114.58 117.34 2jae h GLU 30 Ca 0.08 -0.48 -0.04 0.00 0.34 0.00 0.00 59.36 59.26 2jae h GLU 30 Cb 0.03 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2jae h GLU 30 CO -0.06 1.10 0.17 -0.07 -1.16 0.00 0.00 179.01 179.00 2jae h LEU 31 N 0.54 0.75 -0.68 1.33 3.38 -1.00 -2.81 115.31 116.82 2jae h LEU 31 Ca -0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2jae h LEU 31 Cb 1.18 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2jae h LEU 31 CO 0.12 0.75 0.32 -0.61 0.09 0.00 0.00 178.44 179.11 2jae h GLN 32 N 0.71 0.98 -0.96 1.13 4.15 -0.99 -1.93 115.11 118.20 2jae h GLN 32 Ca 0.17 -0.15 0.15 0.00 0.77 0.00 0.00 58.65 59.59 2jae h GLN 32 Cb 0.26 -0.17 -0.08 0.00 0.21 0.00 0.00 27.48 27.69 2jae h GLN 32 CO -0.01 0.78 0.61 0.87 -1.93 0.00 0.00 178.83 179.15 2jae h LYS 33 N 0.94 0.77 -0.00 1.69 1.57 -1.22 -1.38 116.57 118.94 2jae h LYS 33 Ca 0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2jae h LYS 33 Cb 0.13 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2jae h LYS 33 CO -0.03 0.51 -0.10 0.00 -0.57 0.00 0.00 179.45 179.26 2jae n ALA 34 N -2.38 2.75 0.00 3.86 0.00 -0.87 -4.93 120.51 118.94 2jae n ALA 34 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2jae n ALA 34 Cb 0.48 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2jae n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jae n GLY 35 N 1.25 1.01 3.79 0.00 0.00 -0.52 -0.57 105.19 110.15 2jae n GLY 35 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2jae n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jae s TYR 36 N -2.00 3.13 -0.02 1.61 2.02 -0.78 -4.80 117.35 116.51 2jae s TYR 36 Ca 0.00 1.61 -0.30 0.00 -0.37 0.00 0.00 57.07 58.00 2jae s TYR 36 Cb 0.00 -3.06 -0.04 0.00 -0.40 0.00 0.00 41.96 38.46 2jae s TYR 36 CO 0.00 -0.68 1.16 0.21 -1.57 0.00 0.00 175.55 174.67 2jae s LYS 37 N -2.96 4.41 0.01 -0.62 2.47 -0.32 -4.37 119.74 118.36 2jae s LYS 37 Ca 0.63 1.65 0.03 0.00 -1.56 0.00 0.00 55.97 56.72 2jae s LYS 37 Cb -0.18 -3.48 -0.01 0.00 -1.46 0.00 0.00 37.83 32.70 2jae s LYS 37 CO 0.22 -0.33 -0.10 0.14 0.16 0.00 0.00 175.35 175.44 2jae s VAL 38 N 1.71 0.78 -0.05 4.02 -7.23 -1.26 -0.88 120.40 117.49 2jae s VAL 38 Ca 0.56 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.11 2jae s VAL 38 Cb -0.25 -0.70 0.02 0.00 0.56 0.00 0.00 36.38 36.01 2jae s VAL 38 CO 0.25 0.07 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.16 2jae s THR 39 N -0.52 0.67 -0.17 5.32 2.01 -0.86 -4.81 115.64 117.28 2jae s THR 39 Ca 0.01 -0.18 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 2jae s THR 39 Cb -0.05 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 2jae s THR 39 CO 0.00 0.26 0.07 -0.69 -0.69 0.00 0.00 174.62 173.57 2jae s VAL 40 N 0.98 4.89 -0.26 3.82 1.01 -0.01 -0.36 120.40 130.47 2jae s VAL 40 Ca -0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 2jae s VAL 40 Cb -0.14 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.07 2jae s VAL 40 CO -0.00 0.49 -0.01 -0.76 0.00 0.00 0.00 175.10 174.82 2jae s LEU 41 N 0.09 3.38 -0.12 3.92 1.43 0.10 -0.51 118.68 126.98 2jae s LEU 41 Ca 0.06 -0.78 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 2jae s LEU 41 Cb -0.12 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2jae s LEU 41 CO 0.00 -0.14 -0.19 -0.70 0.23 0.00 0.00 176.35 175.55 2jae s GLU 42 N 1.39 2.64 0.22 1.70 2.56 -0.21 -0.16 118.70 126.84 2jae s GLU 42 Ca 0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 54.97 54.22 2jae s GLU 42 Cb -0.17 -2.13 0.19 0.00 2.00 0.00 0.00 34.13 34.02 2jae s GLU 42 CO -0.02 0.01 1.65 0.00 -0.56 0.00 0.00 175.26 176.33 2jae h ALA 43 N 7.22 0.90 -2.42 6.30 0.00 -1.75 0.97 119.26 130.47 2jae h ALA 43 Ca -0.29 -0.35 -0.46 0.00 0.00 0.00 0.00 54.91 53.80 2jae h ALA 43 Cb 1.19 -0.16 0.13 0.00 0.00 0.00 0.00 17.79 18.95 2jae h ALA 43 CO 0.51 0.63 0.39 1.03 0.00 0.00 0.00 179.25 181.80 2jae s ARG 44 N -4.68 1.37 -0.28 0.00 0.52 -1.26 -3.36 118.95 111.25 2jae s ARG 44 Ca -0.09 -0.01 0.11 0.00 -0.52 0.00 0.00 55.73 55.22 2jae s ARG 44 Cb 0.13 -1.89 0.77 0.00 0.52 0.00 0.00 34.95 34.48 2jae s ARG 44 CO 0.83 -1.99 1.76 0.25 0.02 0.00 0.00 175.30 176.18 2jae n THR 45 N -3.56 2.81 -3.90 0.02 -2.24 -1.26 -1.22 114.28 104.93 2jae n THR 45 Ca 0.10 -1.49 -0.10 0.00 -2.27 0.00 0.00 64.05 60.29 2jae n THR 45 Cb 0.60 -0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 2jae n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jae s ARG 46 N -2.84 0.58 0.33 -0.78 1.70 -1.26 -4.97 118.95 111.71 2jae s ARG 46 Ca 0.54 -0.66 -0.15 0.00 -0.47 0.00 0.00 55.73 54.99 2jae s ARG 46 Cb 0.42 0.23 -0.09 0.00 -0.57 0.00 0.00 34.95 34.95 2jae s ARG 46 CO 0.14 -0.15 0.74 -1.25 -1.08 0.00 0.00 175.30 173.70 2jae s PRO 47 N -2.35 3.99 0.00 3.89 0.04 -1.26 -4.66 135.00 134.64 2jae s PRO 47 Ca -0.07 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2jae s PRO 47 Cb -0.02 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2jae s PRO 47 CO -0.03 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.56 2jae n GLY 48 N -0.44 2.17 7.00 0.56 0.00 -0.30 -4.78 105.19 109.40 2jae n GLY 48 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2jae n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jae n GLY 49 N 0.00 4.01 0.00 -0.02 0.00 -1.26 -0.86 105.19 107.06 2jae n GLY 49 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.23 2jae n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jae n ARG 50 N 12.84 0.21 -2.95 1.61 1.74 -1.26 -4.11 116.66 124.74 2jae n ARG 50 Ca 0.00 0.12 -0.43 0.00 -0.77 0.00 0.00 57.85 56.77 2jae n ARG 50 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 2jae n ARG 50 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jae s VAL 51 N -2.65 4.55 -0.04 1.55 1.01 -0.04 -3.18 120.40 121.60 2jae s VAL 51 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2jae s VAL 51 Cb 0.12 -4.49 0.03 0.00 0.00 0.00 0.00 36.38 32.04 2jae s VAL 51 CO 0.29 -1.08 0.04 0.86 0.00 0.00 0.00 175.10 175.21 2jae s TRP 52 N 3.50 0.12 -0.20 5.22 -0.00 -1.26 -4.52 118.94 121.81 2jae s TRP 52 Ca 0.23 0.16 -0.02 0.00 -0.00 0.00 0.00 56.10 56.48 2jae s TRP 52 Cb -0.16 -0.43 0.00 0.00 -0.00 0.00 0.00 33.47 32.89 2jae s TRP 52 CO 0.15 -0.16 -0.11 0.99 -0.00 0.00 0.00 176.95 177.81 2jae s THR 53 N 1.71 2.84 -0.13 5.86 2.01 -1.26 -0.55 115.64 126.11 2jae s THR 53 Ca -0.01 -0.68 -0.24 0.00 0.31 0.00 0.00 61.69 61.08 2jae s THR 53 Cb -0.12 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 2jae s THR 53 CO -0.03 0.48 0.74 0.00 -0.69 0.00 0.00 174.62 175.12 2jae s ALA 54 N 1.32 3.44 0.25 7.40 0.00 -0.18 -4.95 121.76 129.03 2jae s ALA 54 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.03 2jae s ALA 54 Cb -0.14 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2jae s ALA 54 CO -0.06 -0.41 0.10 1.03 0.00 0.00 0.00 175.76 176.41 2jae s ARG 55 N 1.55 1.37 0.08 0.00 0.52 -1.26 -2.46 118.95 118.76 2jae s ARG 55 Ca 0.36 -1.73 -0.37 0.00 -0.52 0.00 0.00 55.73 53.47 2jae s ARG 55 Cb -0.17 -0.19 -0.17 0.00 0.52 0.00 0.00 34.95 34.94 2jae s ARG 55 CO 0.15 -0.30 1.36 0.41 0.02 0.00 0.00 175.30 176.94 2jae n GLY 56 N -0.43 0.51 0.97 -3.53 0.00 -1.22 -0.83 105.19 100.66 2jae n GLY 56 Ca -0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2jae n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jae n GLY 57 N 2.60 2.64 3.72 -0.02 0.00 0.14 -4.93 105.19 109.34 2jae n GLY 57 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2jae n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jae s SER 58 N -1.43 6.43 -0.03 1.61 0.01 -0.01 -4.78 113.70 115.51 2jae s SER 58 Ca 0.00 2.81 0.04 0.00 1.31 0.00 0.00 55.95 60.11 2jae s SER 58 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2jae s SER 58 CO 0.00 -0.94 -0.14 -0.70 0.41 0.00 0.00 173.24 171.87 2jae s GLU 59 N 1.13 1.34 -0.07 12.44 2.12 -1.26 -0.17 118.70 134.23 2jae s GLU 59 Ca 0.73 -0.50 -0.04 0.00 0.36 0.00 0.00 54.97 55.52 2jae s GLU 59 Cb -0.48 -1.23 0.04 0.00 0.26 0.00 0.00 34.13 32.71 2jae s GLU 59 CO 0.32 0.24 0.17 -2.00 -0.54 0.00 0.00 175.26 173.46 2jae s GLU 60 N -0.09 0.14 -0.25 4.30 2.56 -0.67 -5.00 118.70 119.70 2jae s GLU 60 Ca 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 54.97 55.28 2jae s GLU 60 Cb -0.08 -0.11 -0.03 0.00 2.00 0.00 0.00 34.13 35.91 2jae s GLU 60 CO 0.01 -0.14 0.07 0.99 -0.56 0.00 0.00 175.26 175.63 2jae s THR 61 N 0.97 4.30 0.87 -1.70 2.01 -1.26 -1.04 115.64 119.80 2jae s THR 61 Ca -0.07 -0.17 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 2jae s THR 61 Cb -0.09 -3.01 0.18 0.00 0.01 0.00 0.00 72.50 69.59 2jae s THR 61 CO -0.05 0.34 1.19 1.51 -0.69 0.00 0.00 174.62 176.92 2jae s ASP 62 N 1.57 3.53 0.00 3.53 1.47 -0.31 -4.69 116.67 121.77 2jae s ASP 62 Ca 0.06 -0.13 0.19 0.00 1.18 0.00 0.00 52.55 53.85 2jae s ASP 62 Cb -0.15 0.00 0.83 0.00 -0.34 0.00 0.00 42.92 43.26 2jae s ASP 62 CO 0.03 -2.43 1.61 0.18 0.68 0.00 0.00 175.17 175.25 2jae n LEU 63 N -3.38 0.00 -0.08 2.11 4.77 -0.01 -1.04 117.00 119.38 2jae n LEU 63 Ca 0.16 0.48 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 2jae n LEU 63 Cb 0.60 -0.48 0.55 0.00 -2.33 0.00 0.00 43.42 41.76 2jae n LEU 63 CO 0.43 -0.17 0.82 -1.54 -1.33 0.00 0.00 177.39 175.60 2jae n SER 64 N -1.48 0.40 0.00 -1.43 3.41 -1.26 -4.94 113.62 108.32 2jae n SER 64 Ca 0.05 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 2jae n SER 64 Cb 0.22 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2jae n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jae n GLY 65 N 1.35 0.74 3.71 5.00 0.00 -0.20 -5.05 105.19 110.74 2jae n GLY 65 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2jae n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jae s GLU 66 N -0.40 4.50 -0.20 1.61 2.12 -1.26 -4.81 118.70 120.26 2jae s GLU 66 Ca 0.00 1.25 -0.07 0.00 0.36 0.00 0.00 54.97 56.51 2jae s GLU 66 Cb 0.00 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2jae s GLU 66 CO 0.00 -0.06 0.06 0.99 -0.54 0.00 0.00 175.26 175.71 2jae s THR 67 N 1.11 4.59 -0.03 -1.70 2.01 -1.26 -1.16 115.64 119.21 2jae s THR 67 Ca 0.47 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.40 2jae s THR 67 Cb -0.20 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 2jae s THR 67 CO 0.24 0.43 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.43 2jae s GLN 68 N 0.70 2.63 -0.21 4.92 -0.21 -0.20 -4.98 119.66 122.31 2jae s GLN 68 Ca 0.03 -0.65 0.01 0.00 0.02 0.00 0.00 55.36 54.77 2jae s GLN 68 Cb -0.13 -2.54 0.04 0.00 1.00 0.00 0.00 33.01 31.38 2jae s GLN 68 CO 0.02 0.63 -0.11 0.15 -2.12 0.00 0.00 175.29 173.85 2jae s LYS 69 N -1.16 2.15 0.20 2.91 1.02 -1.26 -1.67 119.74 121.93 2jae s LYS 69 Ca 0.15 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 2jae s LYS 69 Cb -0.11 -2.50 -0.08 0.00 -0.52 0.00 0.00 37.83 34.62 2jae s LYS 69 CO 0.05 -0.43 1.11 0.00 -0.92 0.00 0.00 175.35 175.17 2jae n THR 71 N 2.14 1.36 -1.67 0.00 -2.24 -1.26 -0.68 114.28 111.92 2jae n THR 71 Ca 0.02 -2.25 -0.40 0.00 -2.27 0.00 0.00 64.05 59.15 2jae n THR 71 Cb 0.46 0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 2jae n THR 71 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2jae n PHE 72 N -0.58 1.65 -1.18 4.78 3.72 -1.26 -4.84 117.46 119.75 2jae n PHE 72 Ca 0.14 0.48 -0.34 0.00 -0.05 0.00 0.00 57.45 57.67 2jae n PHE 72 Cb 0.83 -2.28 0.11 0.00 -0.94 0.00 0.00 39.48 37.20 2jae n PHE 72 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jae n SER 73 N -0.23 0.77 -4.66 4.37 7.64 -1.26 -3.46 113.62 116.79 2jae n SER 73 Ca 0.10 0.61 -0.47 0.00 1.01 0.00 0.00 58.87 60.11 2jae n SER 73 Cb 0.42 -1.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.11 2jae n SER 73 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jae n GLU 74 N -2.77 1.96 -0.34 1.43 2.13 -1.26 -1.34 120.64 120.45 2jae n GLU 74 Ca 0.13 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.66 2jae n GLU 74 Cb 0.50 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.75 2jae n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jae n GLY 75 N 3.39 1.47 3.80 8.31 0.00 -1.26 -5.03 105.19 115.86 2jae n GLY 75 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2jae n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jae s HIS 76 N -3.03 3.41 0.23 1.61 3.76 -0.45 -5.02 115.29 115.79 2jae s HIS 76 Ca 0.00 0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 55.06 2jae s HIS 76 Cb 0.00 -1.87 0.04 0.00 1.11 0.00 0.00 32.58 31.86 2jae s HIS 76 CO 0.00 0.62 0.76 -0.59 -0.85 0.00 0.00 174.74 174.68 2jae s PHE 77 N -1.00 -0.24 0.04 1.40 -0.12 -1.26 -4.34 117.98 112.46 2jae s PHE 77 Ca 0.15 -0.14 -0.06 0.00 -0.05 0.00 0.00 56.93 56.83 2jae s PHE 77 Cb -0.12 0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 42.93 2jae s PHE 77 CO 0.05 -1.08 0.10 1.52 -0.05 0.00 0.00 175.22 175.76 2jae s TYR 78 N -3.74 0.21 -0.41 3.49 -0.85 -1.03 -4.79 117.35 110.23 2jae s TYR 78 Ca 0.10 -0.53 -0.28 0.00 -0.52 0.00 0.00 57.07 55.84 2jae s TYR 78 Cb -0.04 -0.14 0.02 0.00 0.38 0.00 0.00 41.96 42.18 2jae s TYR 78 CO 0.03 -0.38 1.05 -0.80 -1.52 0.00 0.00 175.55 173.92 2jae s ASN 79 N -2.20 6.71 0.25 -0.18 0.02 -1.26 -1.02 114.94 117.26 2jae s ASN 79 Ca -0.04 0.61 0.12 0.00 -1.02 0.00 0.00 52.86 52.53 2jae s ASN 79 Cb -0.00 -2.52 0.23 0.00 0.02 0.00 0.00 41.25 38.98 2jae s ASN 79 CO -0.05 -1.03 1.53 0.58 0.02 0.00 0.00 177.10 178.14 2jae h VAL 80 N 5.98 1.34 0.00 1.60 2.07 -1.19 -3.45 116.25 122.59 2jae h VAL 80 Ca -0.22 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 64.93 2jae h VAL 80 Cb 1.07 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 2jae h VAL 80 CO 1.06 0.65 0.00 0.61 0.02 0.00 0.00 177.57 179.90 2jae n GLY 81 N 0.66 1.38 3.67 2.17 0.00 -1.20 -4.64 105.19 107.22 2jae n GLY 81 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 2jae n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jae n ALA 82 N -3.00 1.03 0.00 4.61 0.00 -1.19 -4.90 120.51 117.05 2jae n ALA 82 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2jae n ALA 82 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2jae n ALA 82 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2jae n THR 83 N 2.12 0.00 -4.01 0.00 5.66 -1.26 -4.67 114.28 112.12 2jae n THR 83 Ca 0.13 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.03 2jae n THR 83 Cb 0.31 0.05 -0.11 0.00 -1.55 0.00 0.00 70.33 69.02 2jae n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jae s ARG 84 N -0.45 0.38 -0.04 1.09 1.70 -1.26 -4.66 118.95 115.71 2jae s ARG 84 Ca 0.00 -0.70 -0.01 0.00 -0.47 0.00 0.00 55.73 54.55 2jae s ARG 84 Cb 0.00 0.04 0.03 0.00 -0.57 0.00 0.00 34.95 34.45 2jae s ARG 84 CO 0.00 -0.04 0.03 0.42 -1.08 0.00 0.00 175.30 174.63 2jae s ILE 85 N -1.68 0.04 0.69 4.99 1.01 0.56 -4.95 121.20 121.86 2jae s ILE 85 Ca -0.13 0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 2jae s ILE 85 Cb -0.08 -0.22 0.01 0.00 0.01 0.00 0.00 42.46 42.17 2jae s ILE 85 CO -0.02 0.17 1.09 -2.16 0.00 0.00 0.00 174.94 174.02 2jae s PRO 86 N 1.66 2.98 0.53 2.79 0.04 -1.26 -0.78 135.00 140.96 2jae s PRO 86 Ca -0.01 0.52 0.30 0.00 0.04 0.00 0.00 61.00 61.85 2jae s PRO 86 Cb -0.13 -2.03 1.49 0.00 0.04 0.00 0.00 34.50 33.87 2jae s PRO 86 CO -0.03 -0.96 2.07 1.96 0.04 0.00 0.00 177.00 180.07 2jae h GLN 87 N -0.60 0.00 0.00 4.56 4.20 -1.91 -2.73 115.11 118.63 2jae h GLN 87 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2jae h GLN 87 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2jae h GLN 87 CO 0.63 0.10 -0.30 -1.13 -0.67 0.00 0.00 178.83 177.46 2jae n SER 88 N -3.48 0.40 -4.76 1.46 3.41 -1.26 -4.93 113.62 104.46 2jae n SER 88 Ca -0.01 0.15 -0.39 0.00 -0.26 0.00 0.00 58.87 58.36 2jae n SER 88 Cb 0.25 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 2jae n SER 88 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2jae s HIS 89 N -3.04 3.79 -0.18 7.33 3.76 -1.03 -4.93 115.29 120.99 2jae s HIS 89 Ca 0.11 1.83 0.27 0.00 -0.15 0.00 0.00 55.06 57.12 2jae s HIS 89 Cb 0.17 -3.03 1.26 0.00 1.11 0.00 0.00 32.58 32.09 2jae s HIS 89 CO 0.64 0.14 1.82 0.97 -0.85 0.00 0.00 174.74 177.45 2jae h ILE 90 N 2.92 0.00 -1.00 0.60 2.10 -1.90 -2.13 117.51 118.10 2jae h ILE 90 Ca -0.46 -0.20 0.20 0.00 1.08 0.00 0.00 64.86 65.48 2jae h ILE 90 Cb 1.20 0.94 -0.11 0.00 -1.09 0.00 0.00 36.82 37.76 2jae h ILE 90 CO 0.67 0.00 0.60 0.74 -1.08 0.00 0.00 178.15 179.08 2jae h THR 91 N 0.00 0.68 -0.28 2.19 2.02 -1.91 -0.86 112.91 114.74 2jae h THR 91 Ca 0.00 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 2jae h THR 91 Cb 0.26 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 2jae h THR 91 CO 0.00 0.13 -0.35 -0.07 0.37 0.00 0.00 175.52 175.60 2jae h LEU 92 N 0.73 0.66 -0.71 2.58 3.38 -1.71 -1.27 115.31 118.96 2jae h LEU 92 Ca 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2jae h LEU 92 Cb 0.95 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2jae h LEU 92 CO -0.40 0.95 0.35 0.44 0.09 0.00 0.00 178.44 179.87 2jae h ASP 93 N 0.53 0.93 -0.05 -0.43 3.45 -1.36 -1.96 116.42 117.52 2jae h ASP 93 Ca 0.06 -0.13 -0.11 0.00 0.43 0.00 0.00 57.03 57.28 2jae h ASP 93 Cb 0.85 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 2jae h ASP 93 CO 0.07 0.80 -0.29 1.88 -1.57 0.00 0.00 179.24 180.13 2jae h TYR 94 N 1.00 0.58 -0.68 4.55 0.05 -0.98 -1.21 116.97 120.26 2jae h TYR 94 Ca 0.25 -0.13 0.04 0.00 0.05 0.00 0.00 58.73 58.93 2jae h TYR 94 Cb 0.11 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 2jae h TYR 94 CO 0.01 0.75 0.42 0.00 -1.05 0.00 0.00 178.16 178.28 2jae h ARG 96 N 0.81 -0.03 -0.82 0.00 2.43 -1.11 0.43 114.38 116.09 2jae h ARG 96 Ca 0.28 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.51 2jae h ARG 96 Cb 0.05 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 2jae h ARG 96 CO -0.12 0.09 0.53 1.49 -1.51 0.00 0.00 179.97 180.45 2jae h GLU 97 N -0.14 0.88 -0.01 0.20 4.57 -0.88 -2.49 114.58 116.72 2jae h GLU 97 Ca -0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2jae h GLU 97 Cb 0.13 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2jae h GLU 97 CO 0.01 0.58 -0.38 1.28 -1.18 0.00 0.00 179.01 179.32 2jae n LEU 98 N -4.48 0.92 -1.04 1.64 4.77 0.17 -4.96 117.00 114.02 2jae n LEU 98 Ca 0.12 -0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 55.80 2jae n LEU 98 Cb 0.20 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2jae n LEU 98 CO 0.33 0.18 -0.06 0.61 -1.33 0.00 0.00 177.39 177.13 2jae n GLY 99 N 1.40 0.13 3.51 -0.72 0.00 -0.22 -4.99 105.19 104.31 2jae n GLY 99 Ca 0.10 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 2jae n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jae s VAL 100 N -2.55 5.17 0.26 1.61 1.01 -0.03 -5.03 120.40 120.83 2jae s VAL 100 Ca 0.05 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2jae s VAL 100 Cb -0.02 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 2jae s VAL 100 CO 0.06 -0.22 1.42 -0.70 0.00 0.00 0.00 175.10 175.66 2jae s GLU 101 N 1.98 4.28 0.27 2.72 2.12 -1.26 -4.59 118.70 124.22 2jae s GLU 101 Ca 0.10 2.29 0.10 0.00 0.36 0.00 0.00 54.97 57.82 2jae s GLU 101 Cb -0.17 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2jae s GLU 101 CO 0.12 -0.39 -0.02 0.96 -0.54 0.00 0.00 175.26 175.39 2jae s ILE 102 N -0.13 3.31 0.14 -3.70 -4.36 -1.26 -1.05 121.20 114.15 2jae s ILE 102 Ca 0.58 -1.96 -0.01 0.00 -0.26 0.00 0.00 60.65 59.00 2jae s ILE 102 Cb -0.41 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 40.47 2jae s ILE 102 CO 0.44 -0.37 0.07 0.00 0.24 0.00 0.00 174.94 175.33 2jae s GLN 103 N -3.66 0.97 0.36 0.37 -2.07 0.10 -4.76 119.66 110.98 2jae s GLN 103 Ca 0.32 -1.47 -0.28 0.00 -1.82 0.00 0.00 55.36 52.11 2jae s GLN 103 Cb -0.06 0.25 -0.11 0.00 -1.09 0.00 0.00 33.01 32.00 2jae s GLN 103 CO 0.19 -0.28 1.42 0.20 -1.32 0.00 0.00 175.29 175.50 2jae s GLY 104 N -3.06 2.96 -0.18 2.60 0.00 -1.26 -1.20 107.32 107.18 2jae s GLY 104 Ca 0.26 1.46 -0.05 0.00 0.00 0.00 0.00 44.72 46.39 2jae s GLY 104 CO 0.03 2.13 -0.00 -0.12 0.00 0.00 0.00 173.10 175.14 2jae s PHE 105 N -1.13 3.06 -0.78 1.90 5.36 0.30 -4.71 117.98 121.98 2jae s PHE 105 Ca 0.52 -0.34 -0.26 0.00 -0.96 0.00 0.00 56.93 55.88 2jae s PHE 105 Cb -0.44 -2.04 0.02 0.00 -0.34 0.00 0.00 43.02 40.22 2jae s PHE 105 CO 0.59 -0.13 1.40 0.20 -1.46 0.00 0.00 175.22 175.83 2jae s GLY 106 N 0.72 0.84 0.00 13.12 0.00 -1.26 -4.28 107.32 116.46 2jae s GLY 106 Ca -0.00 -1.44 0.18 0.00 0.00 0.00 0.00 44.72 43.46 2jae s GLY 106 CO 0.02 2.78 1.26 -2.01 0.00 0.00 0.00 173.10 175.15 2jae n ASN 107 N 9.86 3.06 -3.69 1.64 5.15 -1.26 -2.54 115.26 127.47 2jae n ASN 107 Ca 0.11 -1.89 -0.11 0.00 -0.60 0.00 0.00 54.58 52.10 2jae n ASN 107 Cb 0.50 -0.20 -0.10 0.00 -0.53 0.00 0.00 39.78 39.45 2jae n ASN 107 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2jae s GLN 108 N -1.26 0.48 -0.15 1.20 0.74 -1.26 -4.92 119.66 114.50 2jae s GLN 108 Ca 0.30 0.82 -0.06 0.00 0.05 0.00 0.00 55.36 56.47 2jae s GLN 108 Cb 0.18 0.08 0.07 0.00 1.10 0.00 0.00 33.01 34.43 2jae s GLN 108 CO 0.25 -0.13 0.33 1.21 -0.55 0.00 0.00 175.29 176.39 2jae s ASN 109 N 1.13 -0.13 0.54 6.67 3.84 -1.26 -4.81 114.94 120.92 2jae s ASN 109 Ca -0.07 0.74 0.29 0.00 0.21 0.00 0.00 52.86 54.03 2jae s ASN 109 Cb -0.07 0.80 1.57 0.00 -0.55 0.00 0.00 41.25 43.01 2jae s ASN 109 CO -0.10 -0.21 2.12 0.00 -2.79 0.00 0.00 177.10 176.11 2jae h ALA 110 N 7.75 1.29 0.00 1.71 0.00 -1.97 -3.21 119.26 124.82 2jae h ALA 110 Ca -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jae h ALA 110 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jae h ALA 110 CO 0.22 0.11 -0.97 0.09 0.00 0.00 0.00 179.25 178.70 2jae n ASN 111 N -3.62 0.82 -4.79 0.00 5.03 -1.26 -1.33 115.26 110.11 2jae n ASN 111 Ca -0.02 -0.75 -0.29 0.00 0.87 0.00 0.00 54.58 54.39 2jae n ASN 111 Cb 0.20 0.91 0.13 0.00 -1.02 0.00 0.00 39.78 40.00 2jae n ASN 111 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2jae s THR 112 N -3.05 2.23 0.12 3.41 -4.23 -1.21 -4.77 115.64 108.14 2jae s THR 112 Ca 0.07 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.71 2jae s THR 112 Cb 0.16 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 2jae s THR 112 CO 0.84 -0.10 0.00 -0.36 -0.54 0.00 0.00 174.62 174.46 2jae s PHE 113 N -3.25 2.94 0.09 3.99 0.08 -1.26 -1.12 117.98 119.45 2jae s PHE 113 Ca 0.63 -0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.67 2jae s PHE 113 Cb -0.15 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 2jae s PHE 113 CO 0.53 0.49 -0.02 0.14 -0.10 0.00 0.00 175.22 176.26 2jae s VAL 114 N -1.44 3.90 -0.28 -0.44 -7.23 0.33 -0.54 120.40 114.70 2jae s VAL 114 Ca 0.26 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.37 2jae s VAL 114 Cb -0.11 -2.85 0.17 0.00 0.56 0.00 0.00 36.38 34.15 2jae s VAL 114 CO 0.18 0.11 0.51 0.21 -0.31 0.00 0.00 175.10 175.80 2jae s ASN 115 N -2.30 -0.70 0.05 4.85 3.84 -0.72 -1.45 114.94 118.51 2jae s ASN 115 Ca 0.25 0.55 0.03 0.00 0.21 0.00 0.00 52.86 53.90 2jae s ASN 115 Cb -0.12 1.72 -0.03 0.00 -0.55 0.00 0.00 41.25 42.28 2jae s ASN 115 CO 0.18 -0.28 -0.09 -0.31 -2.79 0.00 0.00 177.10 173.80 2jae s TYR 116 N 2.73 0.81 0.37 0.43 2.02 -1.26 -3.12 117.35 119.33 2jae s TYR 116 Ca 0.17 -0.50 -0.24 0.00 -0.37 0.00 0.00 57.07 56.13 2jae s TYR 116 Cb -0.15 -0.47 -0.10 0.00 -0.40 0.00 0.00 41.96 40.84 2jae s TYR 116 CO -0.19 -0.05 0.97 -0.65 -1.57 0.00 0.00 175.55 174.05 2jae s GLN 117 N -1.68 4.38 0.17 -0.62 -1.52 -1.26 -1.03 119.66 118.11 2jae s GLN 117 Ca -0.07 1.29 -0.24 0.00 -1.95 0.00 0.00 55.36 54.39 2jae s GLN 117 Cb -0.10 -2.55 0.06 0.00 -0.22 0.00 0.00 33.01 30.21 2jae s GLN 117 CO 0.01 0.10 0.93 -1.54 -0.25 0.00 0.00 175.29 174.53 2jae s SER 118 N -1.79 -0.19 -0.51 5.90 1.04 -1.26 -4.90 113.70 111.98 2jae s SER 118 Ca 0.56 -0.43 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 2jae s SER 118 Cb -0.16 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.54 2jae s SER 118 CO 0.21 -0.96 2.76 -0.67 0.98 0.00 0.00 173.24 175.56 2jae n ASP 119 N -0.47 6.57 -4.10 7.02 4.64 -1.26 -4.50 116.55 124.46 2jae n ASP 119 Ca -0.06 -3.19 -0.13 0.00 -1.38 0.00 0.00 54.79 50.03 2jae n ASP 119 Cb 0.60 -1.24 -0.10 0.00 -1.04 0.00 0.00 41.12 39.34 2jae n ASP 119 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 2jae s THR 120 N -2.13 0.01 -1.30 5.18 -4.23 -1.26 -5.01 115.64 106.90 2jae s THR 120 Ca 0.59 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.31 2jae s THR 120 Cb 0.37 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 72.02 2jae s THR 120 CO -0.21 0.00 1.68 -1.54 -0.54 0.00 0.00 174.62 174.01 2jae n SER 121 N -0.43 0.00 -0.02 3.99 3.41 -1.26 -2.16 113.62 117.15 2jae n SER 121 Ca 0.03 0.13 0.15 0.00 -0.26 0.00 0.00 58.87 58.92 2jae n SER 121 Cb 0.66 -0.35 0.74 0.00 -0.26 0.00 0.00 64.21 65.00 2jae n SER 121 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jae n LEU 122 N -1.35 0.08 -4.68 1.04 4.32 -1.26 -4.81 117.00 110.34 2jae n LEU 122 Ca 0.09 0.22 -0.47 0.00 -0.02 0.00 0.00 56.01 55.82 2jae n LEU 122 Cb 0.19 -0.25 -0.04 0.00 -1.62 0.00 0.00 43.42 41.69 2jae n LEU 122 CO 0.17 0.02 1.50 -0.24 -1.22 0.00 0.00 177.39 177.61 2jae n SER 123 N -1.22 3.54 0.00 -1.43 2.88 -0.92 -0.99 113.62 115.49 2jae n SER 123 Ca 0.15 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2jae n SER 123 Cb 0.24 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 2jae n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jae n GLY 124 N 4.39 0.41 3.76 0.46 0.00 -0.19 -4.91 105.19 109.11 2jae n GLY 124 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2jae n GLY 124 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jae s GLN 125 N -0.52 4.13 0.05 1.61 0.74 -0.16 -4.89 119.66 120.62 2jae s GLN 125 Ca 0.00 0.17 -0.29 0.00 0.05 0.00 0.00 55.36 55.28 2jae s GLN 125 Cb 0.00 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 2jae s GLN 125 CO 0.00 0.36 0.95 -1.12 -0.55 0.00 0.00 175.29 174.93 2jae s SER 126 N 0.07 7.41 -0.03 6.67 0.01 -1.26 -4.42 113.70 122.16 2jae s SER 126 Ca 0.19 1.70 0.03 0.00 1.31 0.00 0.00 55.95 59.17 2jae s SER 126 Cb -0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2jae s SER 126 CO 0.06 -0.14 -0.09 -0.69 0.41 0.00 0.00 173.24 172.78 2jae s VAL 127 N 0.44 0.82 0.62 3.43 1.01 -0.53 -4.96 120.40 121.24 2jae s VAL 127 Ca 0.48 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2jae s VAL 127 Cb -0.22 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 2jae s VAL 127 CO 0.28 0.26 1.17 0.42 0.00 0.00 0.00 175.10 177.23 2jae s THR 128 N 0.21 2.84 0.26 3.92 -4.23 -1.26 -0.51 115.64 116.86 2jae s THR 128 Ca -0.04 0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.92 2jae s THR 128 Cb -0.09 -3.10 0.24 0.00 1.34 0.00 0.00 72.50 70.89 2jae s THR 128 CO 0.01 -0.16 1.84 1.88 -0.54 0.00 0.00 174.62 177.64 2jae h TYR 129 N 0.56 1.02 -0.48 3.99 -1.99 -0.94 -0.99 116.97 118.13 2jae h TYR 129 Ca -0.49 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.19 2jae h TYR 129 Cb 1.28 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 39.67 2jae h TYR 129 CO 0.50 0.45 -0.02 0.07 -0.00 0.00 0.00 178.16 179.16 2jae h ARG 130 N 0.94 0.81 -0.25 4.88 0.11 -1.50 0.13 114.38 119.50 2jae h ARG 130 Ca 0.43 -0.23 -0.06 0.00 0.10 0.00 0.00 59.98 60.22 2jae h ARG 130 Cb 0.34 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 2jae h ARG 130 CO -0.23 0.82 -0.08 0.00 0.10 0.00 0.00 179.97 180.59 2jae h ALA 131 N 1.23 0.35 -0.66 0.08 0.00 -1.58 -0.87 119.26 117.80 2jae h ALA 131 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2jae h ALA 131 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jae h ALA 131 CO 0.02 0.17 0.30 0.00 0.00 0.00 0.00 179.25 179.74 2jae h ALA 132 N 0.75 0.85 -0.24 0.00 0.00 -0.94 -1.99 119.26 117.71 2jae h ALA 132 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2jae h ALA 132 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jae h ALA 132 CO 0.03 0.43 -0.06 0.87 0.00 0.00 0.00 179.25 180.52 2jae h LYS 133 N 0.92 0.46 -0.65 0.00 1.57 -0.73 -1.06 116.57 117.07 2jae h LYS 133 Ca 0.22 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2jae h LYS 133 Cb 0.15 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2jae h LYS 133 CO -0.03 0.69 0.41 0.00 -0.57 0.00 0.00 179.45 179.95 2jae h ALA 134 N 0.75 0.85 -0.22 3.86 0.00 -1.02 0.15 119.26 123.63 2jae h ALA 134 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2jae h ALA 134 Cb 0.52 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jae h ALA 134 CO 0.02 0.17 -0.20 -0.44 0.00 0.00 0.00 179.25 178.80 2jae h ASP 135 N 0.80 0.56 0.07 0.00 3.32 -1.32 0.96 116.42 120.81 2jae h ASP 135 Ca 0.26 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2jae h ASP 135 Cb 0.01 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2jae h ASP 135 CO -0.10 0.91 -0.04 0.74 -1.72 0.00 0.00 179.24 179.03 2jae h THR 136 N 0.21 1.03 -0.02 0.35 2.02 -0.90 -1.25 112.91 114.36 2jae h THR 136 Ca 0.04 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 2jae h THR 136 Cb 0.75 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2jae h THR 136 CO 0.05 0.09 -0.63 -0.26 0.37 0.00 0.00 175.52 175.15 2jae h PHE 137 N -0.27 0.08 0.49 3.16 0.04 -0.78 -0.66 116.94 119.00 2jae h PHE 137 Ca -0.01 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 2jae h PHE 137 Cb 0.23 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2jae h PHE 137 CO -0.02 0.67 -0.24 0.78 -0.60 0.00 0.00 178.31 178.91 2jae h GLY 138 N 1.78 -0.69 1.35 -1.45 0.00 -0.68 -1.13 103.07 102.26 2jae h GLY 138 Ca -0.01 0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 2jae h GLY 138 CO 0.09 -0.25 -0.39 -0.97 0.00 0.00 0.00 176.54 175.01 2jae h TYR 139 N -0.66 0.85 -0.56 5.60 0.05 -1.16 -0.86 116.97 120.23 2jae h TYR 139 Ca -0.07 -0.25 0.02 0.00 0.05 0.00 0.00 58.73 58.49 2jae h TYR 139 Cb 0.50 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 2jae h TYR 139 CO -0.04 0.99 0.34 1.98 -1.05 0.00 0.00 178.16 180.38 2jae h MET 140 N 0.59 0.65 -0.47 4.88 4.05 -1.12 0.14 114.93 123.65 2jae h MET 140 Ca 0.05 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 2jae h MET 140 Cb 0.93 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 2jae h MET 140 CO 0.08 0.43 -0.01 0.77 0.23 0.00 0.00 176.91 178.42 2jae h SER 141 N 0.67 0.82 -0.38 1.39 0.02 -1.05 -1.56 113.55 113.45 2jae h SER 141 Ca 0.22 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2jae h SER 141 Cb 0.01 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2jae h SER 141 CO -0.09 0.93 0.21 -0.08 -1.14 0.00 0.00 176.83 176.66 2jae h GLU 142 N 0.69 0.42 -0.34 3.45 4.81 -0.82 -0.43 114.58 122.36 2jae h GLU 142 Ca 0.13 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2jae h GLU 142 Cb 0.51 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2jae h GLU 142 CO 0.03 0.28 0.11 -0.07 -0.73 0.00 0.00 179.01 178.63 2jae h LEU 143 N 0.43 0.48 -0.63 1.64 3.38 -0.81 0.05 115.31 119.85 2jae h LEU 143 Ca 0.16 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2jae h LEU 143 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jae h LEU 143 CO -0.09 0.54 -0.22 0.25 0.09 0.00 0.00 178.44 179.02 2jae h LEU 144 N 0.39 0.86 -0.67 1.67 5.85 -1.17 -1.44 115.31 120.81 2jae h LEU 144 Ca 0.11 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 2jae h LEU 144 Cb 0.23 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2jae h LEU 144 CO -0.01 1.05 0.27 0.50 -0.34 0.00 0.00 178.44 179.91 2jae h LYS 145 N 0.74 1.00 0.01 1.25 3.64 -0.91 -0.80 116.57 121.50 2jae h LYS 145 Ca 0.10 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2jae h LYS 145 Cb 0.75 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2jae h LYS 145 CO 0.06 0.84 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.85 2jae h LYS 146 N 0.95 -0.02 -0.92 1.90 3.64 -0.78 0.48 116.57 121.82 2jae h LYS 146 Ca 0.22 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2jae h LYS 146 Cb 0.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2jae h LYS 146 CO -0.02 -0.01 0.61 0.00 -2.27 0.00 0.00 179.45 177.76 2jae h ALA 147 N 0.97 1.17 0.05 5.00 0.00 -1.09 0.49 119.26 125.86 2jae h ALA 147 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jae h ALA 147 Cb 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2jae h ALA 147 CO -0.01 0.55 -0.02 1.15 0.00 0.00 0.00 179.25 180.92 2jae h THR 148 N 1.24 1.05 -0.32 0.00 2.02 -0.91 -1.31 112.91 114.68 2jae h THR 148 Ca 0.34 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2jae h THR 148 Cb -0.12 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2jae h THR 148 CO -0.08 0.08 0.11 0.44 0.37 0.00 0.00 175.52 176.44 2jae h ASP 149 N -0.22 0.41 0.79 4.18 3.45 -0.58 -2.02 116.42 122.42 2jae h ASP 149 Ca -0.01 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2jae h ASP 149 Cb 0.19 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 2jae h ASP 149 CO 0.01 0.39 0.00 0.00 -1.57 0.00 0.00 179.24 178.07 2jae n GLN 150 N -4.39 0.18 -0.35 3.56 6.02 0.14 -4.89 117.38 117.64 2jae n GLN 150 Ca 0.02 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2jae n GLN 150 Cb 0.15 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.59 2jae n GLN 150 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jae n GLY 151 N 0.16 0.77 0.29 1.08 0.00 -0.76 -4.96 105.19 101.77 2jae n GLY 151 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 2jae n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jae h ALA 152 N 0.00 1.28 -0.27 4.61 0.00 -1.44 -2.32 119.26 121.11 2jae h ALA 152 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jae h ALA 152 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jae h ALA 152 CO 0.00 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2jae n LEU 153 N -3.57 3.62 0.29 0.00 4.77 -1.26 -4.70 117.00 116.16 2jae n LEU 153 Ca -0.02 -2.78 0.17 0.00 -0.03 0.00 0.00 56.01 53.34 2jae n LEU 153 Cb 0.17 -0.47 0.89 0.00 -2.33 0.00 0.00 43.42 41.68 2jae n LEU 153 CO 0.28 0.69 1.06 0.44 -1.33 0.00 0.00 177.39 178.52 2jae h ASP 154 N 1.80 0.00 1.71 -1.43 3.32 -1.65 -0.08 116.42 120.08 2jae h ASP 154 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jae h ASP 154 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2jae h ASP 154 CO 0.17 0.05 0.00 1.56 -1.72 0.00 0.00 179.24 179.30 2jae h GLN 155 N 0.00 0.00 0.00 3.56 4.20 -1.84 -3.35 115.11 117.68 2jae h GLN 155 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jae h GLN 155 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2jae h GLN 155 CO 0.01 0.00 -0.13 1.33 -0.67 0.00 0.00 178.83 179.37 2jae n VAL 156 N -2.87 0.00 -4.66 -0.54 0.24 -0.66 -5.01 118.33 104.83 2jae n VAL 156 Ca 0.04 -0.44 -0.26 0.00 -2.04 0.00 0.00 64.34 61.63 2jae n VAL 156 Cb 0.47 0.96 -0.17 0.00 -1.47 0.00 0.00 33.84 33.64 2jae n VAL 156 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jae s LEU 157 N -2.13 1.72 0.95 1.34 1.43 -0.13 -5.10 118.68 116.75 2jae s LEU 157 Ca 0.00 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 2jae s LEU 157 Cb 0.01 -0.96 0.16 0.00 0.03 0.00 0.00 46.19 45.43 2jae s LEU 157 CO 0.05 0.05 1.13 -0.94 0.23 0.00 0.00 176.35 176.87 2jae s SER 158 N 0.68 3.17 0.23 2.29 1.04 -1.26 -4.52 113.70 115.32 2jae s SER 158 Ca -0.14 0.96 -0.06 0.00 0.48 0.00 0.00 55.95 57.19 2jae s SER 158 Cb -0.16 -1.51 0.36 0.00 0.10 0.00 0.00 66.02 64.81 2jae s SER 158 CO 0.04 -2.76 1.76 -0.09 0.98 0.00 0.00 173.24 173.16 2jae h ARG 159 N -1.64 0.50 -0.42 4.02 2.43 -1.99 0.52 114.38 117.80 2jae h ARG 159 Ca -0.51 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.51 2jae h ARG 159 Cb 1.33 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2jae h ARG 159 CO 0.59 0.33 -0.24 0.93 -1.51 0.00 0.00 179.97 180.08 2jae h GLU 160 N 0.52 0.86 -0.41 0.20 3.07 -1.99 -1.49 114.58 115.33 2jae h GLU 160 Ca 0.36 -0.36 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2jae h GLU 160 Cb 0.45 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 2jae h GLU 160 CO -0.32 1.00 0.20 -0.44 -1.40 0.00 0.00 179.01 178.06 2jae h ASP 161 N 0.74 0.53 -0.61 1.42 3.32 -1.72 -1.73 116.42 118.37 2jae h ASP 161 Ca 0.10 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2jae h ASP 161 Cb 0.78 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2jae h ASP 161 CO 0.06 0.50 0.38 0.11 -1.72 0.00 0.00 179.24 178.58 2jae h LYS 162 N 0.52 0.82 -0.49 3.56 1.57 -0.72 -0.03 116.57 121.80 2jae h LYS 162 Ca 0.14 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2jae h LYS 162 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2jae h LYS 162 CO -0.02 0.57 0.12 -0.44 -0.57 0.00 0.00 179.45 179.11 2jae h ASP 163 N 0.82 0.75 -0.43 0.86 3.32 -1.15 0.29 116.42 120.88 2jae h ASP 163 Ca 0.22 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2jae h ASP 163 Cb -0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2jae h ASP 163 CO -0.04 0.79 0.06 0.00 -1.72 0.00 0.00 179.24 178.33 2jae h ALA 164 N 0.99 0.58 -0.42 3.45 0.00 -1.11 -1.78 119.26 120.97 2jae h ALA 164 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jae h ALA 164 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jae h ALA 164 CO 0.00 0.30 0.18 1.25 0.00 0.00 0.00 179.25 180.99 2jae h LEU 165 N 0.58 0.56 -0.73 0.00 5.85 -0.86 -2.37 115.31 118.34 2jae h LEU 165 Ca 0.13 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2jae h LEU 165 Cb 0.39 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2jae h LEU 165 CO 0.01 0.55 0.46 0.28 -0.34 0.00 0.00 178.44 179.40 2jae h SER 166 N 0.53 0.76 -0.37 1.25 0.02 -0.81 -0.33 113.55 114.61 2jae h SER 166 Ca 0.14 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2jae h SER 166 Cb 0.16 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2jae h SER 166 CO -0.01 0.52 0.23 -0.08 -1.14 0.00 0.00 176.83 176.35 2jae h GLU 167 N 0.90 0.49 -0.45 3.45 4.81 -1.16 -0.97 114.58 121.65 2jae h GLU 167 Ca 0.29 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2jae h GLU 167 Cb 0.01 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2jae h GLU 167 CO -0.11 0.36 0.27 0.35 -0.73 0.00 0.00 179.01 179.15 2jae h PHE 168 N 0.49 0.60 -0.50 0.92 3.57 -1.00 -2.67 116.94 118.34 2jae h PHE 168 Ca 0.13 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 2jae h PHE 168 Cb -0.02 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2jae h PHE 168 CO -0.04 0.42 0.01 -0.07 -2.23 0.00 0.00 178.31 176.39 2jae h LEU 169 N 0.60 0.80 -0.71 0.59 3.38 -0.72 0.31 115.31 119.56 2jae h LEU 169 Ca 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2jae h LEU 169 Cb -0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2jae h LEU 169 CO -0.03 0.86 0.33 0.28 0.09 0.00 0.00 178.44 179.97 2jae h SER 170 N 0.78 0.94 0.26 -0.43 0.02 -1.07 -0.34 113.55 113.71 2jae h SER 170 Ca 0.15 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2jae h SER 170 Cb 0.46 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2jae h SER 170 CO 0.02 0.82 -0.12 -0.78 -1.14 0.00 0.00 176.83 175.62 2jae h ASP 171 N 0.99 -0.29 -0.89 3.07 -0.00 -1.11 -0.55 116.42 117.63 2jae h ASP 171 Ca 0.24 -0.23 0.01 0.00 -0.00 0.00 0.00 57.03 57.05 2jae h ASP 171 Cb 0.14 0.08 -0.05 0.00 -0.00 0.00 0.00 39.33 39.50 2jae h ASP 171 CO -0.03 0.15 0.59 0.15 -0.00 0.00 0.00 179.24 180.10 2jae h PHE 172 N -0.82 1.12 -0.01 0.28 3.57 -0.35 -2.50 116.94 118.24 2jae h PHE 172 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jae h PHE 172 Cb 0.51 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2jae h PHE 172 CO 0.05 0.70 -0.23 0.41 -2.23 0.00 0.00 178.31 177.00 2jae n GLY 173 N -1.40 -0.20 3.77 2.40 0.00 -0.14 -4.74 105.19 104.87 2jae n GLY 173 Ca 0.10 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 2jae n GLY 173 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jae n ASP 174 N -0.16 -1.49 -4.84 1.61 2.03 -0.68 -4.25 116.55 108.78 2jae n ASP 174 Ca 0.13 -0.90 -0.32 0.00 0.52 0.00 0.00 54.79 54.22 2jae n ASP 174 Cb 0.40 -3.70 -0.01 0.00 -0.72 0.00 0.00 41.12 37.09 2jae n ASP 174 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jae s LEU 175 N -6.71 3.49 1.07 -2.67 1.43 -0.30 -4.70 118.68 110.29 2jae s LEU 175 Ca 0.07 1.59 -0.13 0.00 -1.03 0.00 0.00 54.13 54.64 2jae s LEU 175 Cb -0.02 -4.51 0.23 0.00 0.03 0.00 0.00 46.19 41.92 2jae s LEU 175 CO 0.84 -0.82 1.07 -0.94 0.23 0.00 0.00 176.35 176.73 2jae s SER 176 N -3.27 1.96 0.48 2.29 1.04 0.81 -4.85 113.70 112.16 2jae s SER 176 Ca 0.59 1.31 0.19 0.00 0.48 0.00 0.00 55.95 58.52 2jae s SER 176 Cb -0.12 -2.02 1.20 0.00 0.10 0.00 0.00 66.02 65.19 2jae s SER 176 CO 0.38 -3.57 2.00 0.44 0.98 0.00 0.00 173.24 173.48 2jae h ASP 177 N -2.19 0.18 -0.48 7.02 3.32 -1.97 -0.54 116.42 121.75 2jae h ASP 177 Ca -0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.48 2jae h ASP 177 Cb 1.33 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2jae h ASP 177 CO 0.55 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.27 2jae n ASP 178 N -4.44 3.55 0.00 6.45 3.85 -1.26 -4.94 116.55 119.75 2jae n ASP 178 Ca 0.08 -2.29 0.00 0.00 -0.71 0.00 0.00 54.79 51.87 2jae n ASP 178 Cb 0.44 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.73 2jae n ASP 178 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2jae n GLY 179 N 0.96 0.63 3.67 6.12 0.00 -0.21 -5.07 105.19 111.30 2jae n GLY 179 Ca 0.19 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 2jae n GLY 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jae s ARG 180 N -1.10 2.71 -0.34 1.61 0.52 -1.26 -4.67 118.95 116.42 2jae s ARG 180 Ca 0.00 -0.66 -0.24 0.00 -0.52 0.00 0.00 55.73 54.31 2jae s ARG 180 Cb 0.00 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.85 2jae s ARG 180 CO 0.00 0.61 0.81 -0.47 0.02 0.00 0.00 175.30 176.26 2jae s TYR 181 N -1.11 3.14 -0.14 -0.53 5.04 -1.26 -0.13 117.35 122.35 2jae s TYR 181 Ca 0.20 0.69 0.06 0.00 -2.44 0.00 0.00 57.07 55.58 2jae s TYR 181 Cb -0.11 -3.36 0.12 0.00 0.35 0.00 0.00 41.96 38.96 2jae s TYR 181 CO 0.11 -0.68 1.08 1.28 -1.34 0.00 0.00 175.55 176.01 2jae n LEU 182 N 6.38 2.27 0.00 6.97 4.77 -1.26 -4.98 117.00 131.15 2jae n LEU 182 Ca 0.04 -2.29 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 2jae n LEU 182 Cb 0.48 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2jae n LEU 182 CO 0.53 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2jae n GLY 183 N -0.60 0.96 3.60 -0.72 0.00 -1.26 -4.82 105.19 102.34 2jae n GLY 183 Ca 0.06 -2.16 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 2jae n GLY 183 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jae s SER 184 N 0.00 -0.40 0.65 1.61 0.15 -1.26 -4.94 113.70 109.51 2jae s SER 184 Ca 0.00 0.57 0.38 0.00 0.70 0.00 0.00 55.95 57.60 2jae s SER 184 Cb 0.00 0.50 2.13 0.00 -1.71 0.00 0.00 66.02 66.94 2jae s SER 184 CO 0.00 -0.28 2.25 0.77 1.20 0.00 0.00 173.24 177.17 2jae h SER 185 N 3.13 0.00 0.23 5.45 4.64 -1.93 -1.69 113.55 123.37 2jae h SER 185 Ca -0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2jae h SER 185 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2jae h SER 185 CO 0.24 0.00 -0.02 0.03 -0.87 0.00 0.00 176.83 176.21 2jae h ARG 186 N 0.00 0.00 0.00 4.77 3.08 -1.94 -1.47 114.38 118.83 2jae h ARG 186 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jae h ARG 186 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2jae h ARG 186 CO -0.00 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 2jae h ARG 187 N 0.00 0.00 0.00 0.04 3.08 -1.50 -3.40 114.38 112.60 2jae h ARG 187 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jae h ARG 187 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2jae h ARG 187 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2jae n GLY 188 N 0.11 -2.24 2.95 0.04 0.00 -0.55 -3.95 105.19 101.55 2jae n GLY 188 Ca 0.01 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 2jae n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jae s TYR 189 N -0.23 0.68 0.11 1.61 2.02 -1.26 -1.15 117.35 119.13 2jae s TYR 189 Ca 0.00 -0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 56.41 2jae s TYR 189 Cb 0.00 -0.51 -0.08 0.00 -0.40 0.00 0.00 41.96 40.97 2jae s TYR 189 CO 0.00 -0.08 1.42 0.22 -1.57 0.00 0.00 175.55 175.54 2jae h ASP 190 N 6.44 0.80 -3.30 2.29 3.58 -0.96 -3.42 116.42 121.86 2jae h ASP 190 Ca -0.33 -0.48 -0.68 0.00 0.42 0.00 0.00 57.03 55.96 2jae h ASP 190 Cb 1.17 -0.23 -0.32 0.00 1.72 0.00 0.00 39.33 41.67 2jae h ASP 190 CO 0.49 1.12 -0.86 -0.55 -2.88 0.00 0.00 179.24 176.56 2jae s SER 191 N -6.62 3.22 0.10 2.28 0.15 -1.23 -4.97 113.70 106.63 2jae s SER 191 Ca -0.12 -0.54 -0.31 0.00 0.70 0.00 0.00 55.95 55.68 2jae s SER 191 Cb 0.09 -1.45 -0.07 0.00 -1.71 0.00 0.00 66.02 62.88 2jae s SER 191 CO 0.84 0.14 1.37 -0.70 1.20 0.00 0.00 173.24 176.08 2jae s GLU 192 N 0.49 4.33 0.18 5.44 2.56 -1.26 -1.35 118.70 129.09 2jae s GLU 192 Ca -0.14 2.03 -0.33 0.00 0.00 0.00 0.00 54.97 56.52 2jae s GLU 192 Cb -0.17 -3.29 -0.14 0.00 2.00 0.00 0.00 34.13 32.53 2jae s GLU 192 CO 0.05 -0.43 1.53 -2.30 -0.56 0.00 0.00 175.26 173.56 2jae n PRO 193 N 4.07 2.09 0.00 4.30 -0.02 -1.26 -4.41 135.00 139.77 2jae n PRO 193 Ca 0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2jae n PRO 193 Cb 0.43 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2jae n PRO 193 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jae n GLY 194 N 3.09 5.30 3.99 -1.23 0.00 0.34 -4.93 105.19 111.74 2jae n GLY 194 Ca 0.16 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 2jae n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jae s ALA 195 N -2.00 4.18 0.00 4.61 0.00 -1.26 -4.75 121.76 122.53 2jae s ALA 195 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2jae s ALA 195 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2jae s ALA 195 CO 0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2jae n GLY 196 N -1.75 3.65 1.00 0.00 0.00 -1.26 -1.29 105.19 105.53 2jae n GLY 196 Ca 0.01 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.05 2jae n GLY 196 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jae n LEU 197 N 0.00 2.88 -4.24 0.99 4.77 -1.26 -4.64 117.00 115.50 2jae n LEU 197 Ca 0.00 -1.45 -0.43 0.00 -0.03 0.00 0.00 56.01 54.10 2jae n LEU 197 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2jae n LEU 197 CO 0.00 0.58 2.05 -3.20 -1.33 0.00 0.00 177.39 175.49 2jae n ASN 198 N 0.71 4.73 0.26 -1.43 5.15 -0.41 -4.77 115.26 119.50 2jae n ASN 198 Ca 0.16 -2.94 0.16 0.00 -0.60 0.00 0.00 54.58 51.37 2jae n ASN 198 Cb 0.52 -1.66 0.60 0.00 -0.53 0.00 0.00 39.78 38.71 2jae n ASN 198 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 2jae h PHE 199 N 6.83 0.00 -0.09 1.20 0.04 -1.84 0.97 116.94 124.04 2jae h PHE 199 Ca 0.45 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.23 2jae h PHE 199 Cb 0.78 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.92 2jae h PHE 199 CO 1.35 0.00 -0.02 0.41 -0.60 0.00 0.00 178.31 179.45 2jae n GLY 200 N 0.20 -1.65 2.77 -1.45 0.00 -1.26 -4.25 105.19 99.55 2jae n GLY 200 Ca 0.01 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 2jae n GLY 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jae s THR 201 N -1.58 0.66 0.39 2.61 -4.23 -0.46 -4.91 115.64 108.13 2jae s THR 201 Ca 0.00 -0.56 -0.27 0.00 -1.18 0.00 0.00 61.69 59.68 2jae s THR 201 Cb 0.00 -1.08 -0.09 0.00 1.34 0.00 0.00 72.50 72.66 2jae s THR 201 CO 0.00 -0.12 1.37 -1.61 -0.54 0.00 0.00 174.62 173.72 2jae s GLU 202 N 1.80 4.01 0.12 3.99 2.02 -1.26 -0.34 118.70 129.04 2jae s GLU 202 Ca -0.01 2.32 -0.31 0.00 0.02 0.00 0.00 54.97 57.00 2jae s GLU 202 Cb -0.17 -2.85 -0.07 0.00 0.10 0.00 0.00 34.13 31.15 2jae s GLU 202 CO -0.07 -0.51 1.26 0.15 0.02 0.00 0.00 175.26 176.10 2jae s LYS 203 N -2.17 4.41 0.38 1.61 1.02 -0.30 -4.67 119.74 120.03 2jae s LYS 203 Ca 0.55 1.91 -0.21 0.00 0.02 0.00 0.00 55.97 58.24 2jae s LYS 203 Cb -0.42 -3.28 -0.10 0.00 -0.52 0.00 0.00 37.83 33.51 2jae s LYS 203 CO 0.55 -0.27 0.91 0.15 -0.92 0.00 0.00 175.35 175.76 2jae s LYS 204 N 0.67 4.27 0.53 1.68 1.02 -1.26 -4.75 119.74 121.91 2jae s LYS 204 Ca 0.59 1.09 -0.18 0.00 0.02 0.00 0.00 55.97 57.48 2jae s LYS 204 Cb -0.33 -2.38 -0.07 0.00 -0.52 0.00 0.00 37.83 34.54 2jae s LYS 204 CO 0.32 0.08 1.04 -1.25 -0.92 0.00 0.00 175.35 174.62 2jae s PRO 205 N -2.86 3.62 0.83 -1.68 0.04 -1.26 -5.06 135.00 128.62 2jae s PRO 205 Ca 0.58 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 2jae s PRO 205 Cb -0.11 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.44 2jae s PRO 205 CO 0.16 -0.57 1.09 -0.06 0.04 0.00 0.00 177.00 177.66 2jae s PHE 206 N -2.19 2.53 0.54 0.56 0.08 -1.26 -5.05 117.98 113.18 2jae s PHE 206 Ca 0.65 1.36 -0.17 0.00 0.12 0.00 0.00 56.93 58.90 2jae s PHE 206 Cb -0.16 -3.10 -0.07 0.00 -0.57 0.00 0.00 43.02 39.13 2jae s PHE 206 CO 0.27 -2.02 1.01 0.00 -0.10 0.00 0.00 175.22 174.37 2jae s ALA 207 N -2.96 2.96 0.21 5.36 0.00 -1.26 -4.90 121.76 121.18 2jae s ALA 207 Ca 0.62 0.26 -0.09 0.00 0.00 0.00 0.00 51.96 52.76 2jae s ALA 207 Cb -0.17 -3.16 0.30 0.00 0.00 0.00 0.00 23.12 20.09 2jae s ALA 207 CO 0.56 -0.40 1.75 1.98 0.00 0.00 0.00 175.76 179.65 2jae h MET 208 N 0.82 0.43 -0.96 0.00 4.05 -1.96 -1.37 114.93 115.93 2jae h MET 208 Ca -0.47 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 2jae h MET 208 Cb 1.20 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.85 2jae h MET 208 CO 0.60 0.28 0.62 1.96 0.23 0.00 0.00 176.91 180.60 2jae h GLN 209 N 0.44 1.28 -0.32 0.39 7.50 -1.99 -1.63 115.11 120.77 2jae h GLN 209 Ca 0.32 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.39 2jae h GLN 209 Cb 0.39 -0.28 -0.02 0.00 0.05 0.00 0.00 27.48 27.62 2jae h GLN 209 CO -0.31 0.86 0.21 0.93 -1.50 0.00 0.00 178.83 179.02 2jae h GLU 210 N 1.31 0.42 0.28 1.46 5.08 -1.79 -0.86 114.58 120.48 2jae h GLU 210 Ca 0.35 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 2jae h GLU 210 Cb -0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2jae h GLU 210 CO -0.07 0.28 -0.13 0.28 -1.00 0.00 0.00 179.01 178.36 2jae h VAL 211 N 0.43 0.74 -0.18 3.13 2.07 -0.86 -0.92 116.25 120.67 2jae h VAL 211 Ca 0.12 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2jae h VAL 211 Cb -0.04 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2jae h VAL 211 CO -0.03 0.02 0.04 0.40 0.02 0.00 0.00 177.57 178.02 2jae h ILE 212 N -0.43 1.21 0.00 4.57 2.04 -1.27 -3.07 117.51 120.56 2jae h ILE 212 Ca -0.04 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2jae h ILE 212 Cb 0.33 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2jae h ILE 212 CO 0.06 0.21 0.00 0.03 0.00 0.00 0.00 178.15 178.45 2jae h ARG 213 N 0.09 0.00 0.00 2.37 3.08 -1.16 -2.80 114.38 115.96 2jae h ARG 213 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2jae h ARG 213 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2jae h ARG 213 CO 0.00 0.00 -0.10 0.66 -1.07 0.00 0.00 179.97 179.46 2jae h SER 214 N 0.00 0.00 -4.01 7.04 4.64 -1.08 -3.42 113.55 116.73 2jae h SER 214 Ca 0.00 -0.03 -0.40 0.00 -0.47 0.00 0.00 61.79 60.89 2jae h SER 214 Cb 0.75 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.86 2jae h SER 214 CO 0.00 0.02 -0.57 0.61 -0.87 0.00 0.00 176.83 176.02 2jae n GLY 215 N 1.30 -0.51 0.26 -0.77 0.00 -1.06 -4.82 105.19 99.59 2jae n GLY 215 Ca 0.05 0.08 0.18 0.00 0.00 0.00 0.00 46.02 46.33 2jae n GLY 215 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jae h ILE 216 N -0.84 0.00 -0.55 -0.61 2.10 -1.86 -2.18 117.51 113.58 2jae h ILE 216 Ca -0.50 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.19 2jae h ILE 216 Cb 1.36 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 2jae h ILE 216 CO 0.56 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.24 2jae n GLY 217 N -0.47 1.66 0.30 8.18 0.00 -1.26 -4.59 105.19 109.01 2jae n GLY 217 Ca -0.01 -0.63 0.15 0.00 0.00 0.00 0.00 46.02 45.54 2jae n GLY 217 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jae h ARG 218 N 3.43 0.00 -0.10 1.61 0.11 -1.78 -1.99 114.38 115.66 2jae h ARG 218 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2jae h ARG 218 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2jae h ARG 218 CO 0.00 0.01 0.00 -1.71 0.10 0.00 0.00 179.97 178.37 2jae n ASN 219 N -3.78 3.03 -0.15 0.08 5.15 -1.26 -4.61 115.26 113.72 2jae n ASN 219 Ca -0.03 -1.97 -0.01 0.00 -0.60 0.00 0.00 54.58 51.97 2jae n ASN 219 Cb 0.09 -0.05 0.23 0.00 -0.53 0.00 0.00 39.78 39.52 2jae n ASN 219 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 2jae h PHE 220 N 4.50 0.86 0.00 1.20 0.04 -1.69 -2.27 116.94 119.59 2jae h PHE 220 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2jae h PHE 220 Cb 0.97 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.85 2jae h PHE 220 CO 0.05 0.65 0.00 -1.13 -0.60 0.00 0.00 178.31 177.28 2jae n SER 221 N -4.34 0.60 -0.31 2.17 3.41 -1.26 -1.88 113.62 112.01 2jae n SER 221 Ca 0.05 0.67 0.15 0.00 -0.26 0.00 0.00 58.87 59.48 2jae n SER 221 Cb 0.14 -0.79 0.39 0.00 -0.26 0.00 0.00 64.21 63.70 2jae n SER 221 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2jae h PHE 222 N 0.00 0.86 -0.01 7.33 3.57 -1.74 -1.10 116.94 125.84 2jae h PHE 222 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2jae h PHE 222 Cb 0.30 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2jae h PHE 222 CO 0.00 0.22 0.03 -0.44 -2.23 0.00 0.00 178.31 175.89 2jae h ASP 223 N 0.64 0.00 0.17 0.41 3.32 -1.57 -2.03 116.42 117.36 2jae h ASP 223 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 2jae h ASP 223 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2jae h ASP 223 CO -0.28 0.00 -0.45 0.49 -1.72 0.00 0.00 179.24 177.28 2jae n PHE 224 N -3.50 0.00 -1.66 4.55 3.72 -0.42 -3.80 117.46 116.34 2jae n PHE 224 Ca -0.03 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 2jae n PHE 224 Cb 0.11 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.53 2jae n PHE 224 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jae n GLY 225 N 1.41 0.64 0.35 1.37 0.00 -0.77 -4.74 105.19 103.46 2jae n GLY 225 Ca 0.09 0.46 0.06 0.00 0.00 0.00 0.00 46.02 46.64 2jae n GLY 225 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2jae h TYR 226 N 3.79 1.09 -0.12 1.61 3.20 -1.93 0.10 116.97 124.71 2jae h TYR 226 Ca -0.45 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2jae h TYR 226 Cb 1.29 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2jae h TYR 226 CO 0.55 0.43 0.00 -0.25 -1.64 0.00 0.00 178.16 177.25 2jae n ASP 227 N -4.65 1.66 0.00 -2.11 8.00 -1.26 -4.33 116.55 113.86 2jae n ASP 227 Ca 0.18 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 54.03 2jae n ASP 227 Cb 0.34 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 2jae n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jae n GLN 228 N 0.31 1.90 -1.76 -1.24 1.13 -0.38 -4.29 117.38 113.04 2jae n GLN 228 Ca 0.17 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.82 2jae n GLN 228 Cb 0.35 -0.90 0.00 0.00 0.11 0.00 0.00 30.24 29.80 2jae n GLN 228 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jae n ALA 229 N -1.36 2.10 -1.75 -1.58 0.00 -0.12 -4.86 120.51 112.94 2jae n ALA 229 Ca 0.00 0.32 -0.38 0.00 0.00 0.00 0.00 53.44 53.39 2jae n ALA 229 Cb 0.14 -2.38 0.03 0.00 0.00 0.00 0.00 19.45 17.23 2jae n ALA 229 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jae s MET 230 N -2.15 3.19 0.17 0.00 -1.94 -1.26 -4.27 119.30 113.05 2jae s MET 230 Ca 0.55 2.05 -0.24 0.00 -1.71 0.00 0.00 55.69 56.35 2jae s MET 230 Cb -0.49 -2.20 -0.08 0.00 2.01 0.00 0.00 34.83 34.08 2jae s MET 230 CO 0.62 -1.09 0.75 -1.64 -0.01 0.00 0.00 175.02 173.65 2jae s MET 231 N -2.98 4.47 0.24 2.03 1.00 -1.26 -5.11 119.30 117.69 2jae s MET 231 Ca 0.72 1.07 0.11 0.00 0.00 0.00 0.00 55.69 57.59 2jae s MET 231 Cb -0.36 -3.16 -0.05 0.00 0.00 0.00 0.00 34.83 31.26 2jae s MET 231 CO 0.42 0.53 -0.20 -1.64 0.00 0.00 0.00 175.02 174.13 2jae s MET 232 N -1.35 1.67 0.12 2.03 1.00 -1.26 -4.17 119.30 117.34 2jae s MET 232 Ca 0.37 -1.61 0.01 0.00 0.00 0.00 0.00 55.69 54.46 2jae s MET 232 Cb -0.21 -1.85 -0.04 0.00 0.00 0.00 0.00 34.83 32.73 2jae s MET 232 CO 0.24 0.37 -0.03 -0.06 0.00 0.00 0.00 175.02 175.55 2jae s PHE 233 N -2.09 0.96 -0.05 -0.03 0.08 0.04 -0.54 117.98 116.35 2jae s PHE 233 Ca 0.26 -1.00 -0.27 0.00 0.12 0.00 0.00 56.93 56.03 2jae s PHE 233 Cb -0.07 -0.56 0.06 0.00 -0.57 0.00 0.00 43.02 41.89 2jae s PHE 233 CO 0.13 -0.24 0.60 -0.08 -0.10 0.00 0.00 175.22 175.53 2jae s THR 234 N -3.71 0.01 0.32 0.64 -1.32 -0.34 -0.33 115.64 110.91 2jae s THR 234 Ca 0.17 -0.11 -0.29 0.00 -1.21 0.00 0.00 61.69 60.25 2jae s THR 234 Cb 0.06 -0.91 -0.10 0.00 -1.51 0.00 0.00 72.50 70.04 2jae s THR 234 CO -0.02 -0.06 1.34 -2.84 -2.21 0.00 0.00 174.62 170.83 2jae s PRO 235 N -1.17 4.33 0.13 7.08 0.02 -1.26 -0.72 135.00 143.41 2jae s PRO 235 Ca -0.11 2.25 -0.31 0.00 0.02 0.00 0.00 61.00 62.84 2jae s PRO 235 Cb -0.01 -3.07 -0.10 0.00 0.02 0.00 0.00 34.50 31.34 2jae s PRO 235 CO 0.08 -0.24 1.73 0.08 -0.33 0.00 0.00 177.00 178.33 2jae s VAL 236 N -0.96 2.61 0.00 3.83 1.01 -0.21 -2.55 120.40 124.12 2jae s VAL 236 Ca 0.51 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2jae s VAL 236 Cb -0.40 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2jae s VAL 236 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2jae n GLY 237 N 4.07 0.59 0.00 4.51 0.00 -1.26 -4.89 105.19 108.21 2jae n GLY 237 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2jae n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jae n GLY 238 N -2.81 3.56 0.21 -0.02 0.00 -1.06 -4.85 105.19 100.23 2jae n GLY 238 Ca 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.46 2jae n GLY 238 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2jae h MET 239 N 0.00 0.00 0.00 1.61 4.05 -1.83 -2.58 114.93 116.18 2jae h MET 239 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2jae h MET 239 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2jae h MET 239 CO 0.00 0.29 0.00 0.38 0.23 0.00 0.00 176.91 177.81 2jae h ASP 240 N 0.00 0.00 0.07 1.39 2.03 -1.90 -2.65 116.42 115.36 2jae h ASP 240 Ca -0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 2jae h ASP 240 Cb 0.54 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.04 2jae h ASP 240 CO 0.04 0.00 -0.04 0.03 -1.03 0.00 0.00 179.24 178.24 2jae h ARG 241 N 0.00 0.00 -0.87 4.15 3.08 -1.79 0.30 114.38 119.25 2jae h ARG 241 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2jae h ARG 241 Cb 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 2jae h ARG 241 CO 0.00 0.04 0.57 0.82 -1.07 0.00 0.00 179.97 180.33 2jae h ILE 242 N 0.00 1.18 0.00 2.04 2.04 -1.71 -1.63 117.51 119.44 2jae h ILE 242 Ca -0.00 -0.39 -0.25 0.00 1.00 0.00 0.00 64.86 65.22 2jae h ILE 242 Cb 0.08 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.07 2jae h ILE 242 CO 0.00 0.21 -1.41 1.88 0.00 0.00 0.00 178.15 178.84 2jae h TYR 243 N 1.13 0.00 -0.54 1.37 0.05 -1.18 -1.25 116.97 116.55 2jae h TYR 243 Ca 0.33 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.07 2jae h TYR 243 Cb -0.06 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 2jae h TYR 243 CO -0.02 0.97 0.15 1.88 -1.05 0.00 0.00 178.16 180.10 2jae h TYR 244 N 0.00 0.84 -0.27 4.88 0.05 -1.30 -0.56 116.97 120.61 2jae h TYR 244 Ca -0.17 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.50 2jae h TYR 244 Cb 1.89 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 39.37 2jae h TYR 244 CO 0.00 0.70 0.03 0.00 -1.05 0.00 0.00 178.16 177.83 2jae h ALA 245 N 1.37 0.36 -0.41 3.88 0.00 -1.10 -1.54 119.26 121.82 2jae h ALA 245 Ca 0.18 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2jae h ALA 245 Cb 0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2jae h ALA 245 CO -0.00 0.06 0.14 0.74 0.00 0.00 0.00 179.25 180.19 2jae h PHE 246 N 0.26 0.25 -0.50 0.00 0.04 -1.14 -1.85 116.94 114.00 2jae h PHE 246 Ca 0.08 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.96 2jae h PHE 246 Cb 0.36 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.39 2jae h PHE 246 CO 0.03 0.09 0.07 0.37 -0.60 0.00 0.00 178.31 178.27 2jae h GLN 247 N 0.30 0.19 -0.16 1.51 4.15 -0.87 -0.28 115.11 119.95 2jae h GLN 247 Ca 0.19 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 2jae h GLN 247 Cb 0.18 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2jae h GLN 247 CO -0.20 0.13 -0.30 -0.44 -1.93 0.00 0.00 178.83 176.08 2jae h ASP 248 N 0.20 0.32 0.12 -0.69 3.32 -0.90 0.13 116.42 118.92 2jae h ASP 248 Ca 0.25 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 2jae h ASP 248 Cb 0.35 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2jae h ASP 248 CO -0.36 0.62 -0.68 0.03 -1.72 0.00 0.00 179.24 177.13 2jae h ARG 249 N 0.28 0.51 -0.22 3.56 2.47 -0.65 -3.23 114.38 117.10 2jae h ARG 249 Ca 0.04 -0.39 -0.20 0.00 -1.26 0.00 0.00 59.98 58.17 2jae h ARG 249 Cb 0.68 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 2jae h ARG 249 CO 0.05 1.01 -0.65 0.82 0.56 0.00 0.00 179.97 181.76 2jae h ILE 250 N 0.36 1.28 -0.12 2.04 2.04 -0.81 -3.50 117.51 118.80 2jae h ILE 250 Ca -0.02 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 63.99 2jae h ILE 250 Cb 1.26 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2jae h ILE 250 CO 0.12 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.48 2jae n GLY 251 N 0.50 0.40 0.27 5.37 0.00 0.01 -4.64 105.19 107.11 2jae n GLY 251 Ca -0.06 -1.19 0.18 0.00 0.00 0.00 0.00 46.02 44.95 2jae n GLY 251 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jae h THR 252 N 0.00 0.00 0.00 2.61 1.35 -1.88 -0.03 112.91 114.96 2jae h THR 252 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2jae h THR 252 Cb 0.00 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 2jae h THR 252 CO 0.00 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.71 2jae h ASP 253 N 0.00 0.00 -0.43 5.36 3.45 -1.95 -2.76 116.42 120.09 2jae h ASP 253 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2jae h ASP 253 Cb 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 2jae h ASP 253 CO 0.00 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.26 2jae n ASN 254 N -3.04 3.17 -3.97 6.45 3.02 -0.03 -4.92 115.26 115.94 2jae n ASN 254 Ca -0.02 -1.97 -0.22 0.00 -0.03 0.00 0.00 54.58 52.34 2jae n ASN 254 Cb 0.13 -0.29 -0.16 0.00 -0.61 0.00 0.00 39.78 38.85 2jae n ASN 254 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jae s ILE 255 N -1.02 0.83 -0.31 2.41 1.01 -1.04 -0.83 121.20 122.26 2jae s ILE 255 Ca 0.30 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 2jae s ILE 255 Cb 0.16 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.85 2jae s ILE 255 CO 0.21 0.28 0.10 -0.69 0.00 0.00 0.00 174.94 174.84 2jae s VAL 256 N 0.63 4.09 0.45 2.92 1.01 0.34 -4.88 120.40 124.96 2jae s VAL 256 Ca -0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 2jae s VAL 256 Cb -0.14 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2jae s VAL 256 CO 0.02 0.04 0.72 -0.36 0.00 0.00 0.00 175.10 175.52 2jae s PHE 257 N 1.51 3.49 -1.62 5.22 0.08 -1.26 -1.05 117.98 124.36 2jae s PHE 257 Ca 0.03 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.70 2jae s PHE 257 Cb -0.17 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 2jae s PHE 257 CO 0.03 -0.22 0.00 0.41 -0.10 0.00 0.00 175.22 175.35 2jae n GLY 258 N -2.14 0.48 3.21 4.36 0.00 -0.36 -4.90 105.19 105.84 2jae n GLY 258 Ca -0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2jae n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jae s ALA 259 N -2.77 3.51 -0.47 4.61 0.00 0.20 -4.13 121.76 122.71 2jae s ALA 259 Ca 0.00 -2.74 -0.23 0.00 0.00 0.00 0.00 51.96 48.99 2jae s ALA 259 Cb 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.26 2jae s ALA 259 CO 0.00 -1.98 0.81 -2.00 0.00 0.00 0.00 175.76 172.59 2jae s GLU 260 N 1.01 3.39 0.22 0.00 2.12 -0.40 -2.39 118.70 122.65 2jae s GLU 260 Ca 0.09 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 54.96 2jae s GLU 260 Cb -0.23 -3.97 -0.10 0.00 0.26 0.00 0.00 34.13 30.09 2jae s GLU 260 CO -0.02 -1.19 1.46 0.08 -0.54 0.00 0.00 175.26 175.05 2jae s VAL 261 N 3.40 2.70 0.00 3.70 1.01 -1.26 -1.23 120.40 128.72 2jae s VAL 261 Ca 0.30 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2jae s VAL 261 Cb -0.12 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2jae s VAL 261 CO 0.22 0.08 0.00 0.35 0.00 0.00 0.00 175.10 175.74 2jae n THR 262 N 2.81 0.00 -3.74 3.92 -2.24 0.13 -4.95 114.28 110.22 2jae n THR 262 Ca 0.09 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 2jae n THR 262 Cb 0.40 0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 69.18 2jae n THR 262 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2jae s SER 263 N -1.64 -0.33 -0.18 3.42 0.15 -1.07 -1.40 113.70 112.65 2jae s SER 263 Ca 0.00 0.49 -0.04 0.00 0.70 0.00 0.00 55.95 57.09 2jae s SER 263 Cb 0.00 0.58 0.09 0.00 -1.71 0.00 0.00 66.02 64.98 2jae s SER 263 CO 0.00 -0.29 0.29 -0.32 1.20 0.00 0.00 173.24 174.12 2jae s MET 264 N -0.50 0.22 -0.01 5.44 0.00 -0.20 -1.34 119.30 122.90 2jae s MET 264 Ca -0.06 0.56 0.00 0.00 0.00 0.00 0.00 55.69 56.19 2jae s MET 264 Cb -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 34.83 34.35 2jae s MET 264 CO 0.03 -0.47 -0.00 0.15 0.00 0.00 0.00 175.02 174.72 2jae s LYS 265 N 2.43 0.17 0.17 4.11 1.02 -0.42 -3.88 119.74 123.35 2jae s LYS 265 Ca 0.05 0.02 -0.31 0.00 0.02 0.00 0.00 55.97 55.75 2jae s LYS 265 Cb -0.14 -0.28 -0.10 0.00 -0.52 0.00 0.00 37.83 36.80 2jae s LYS 265 CO -0.11 -0.05 1.54 -0.80 -0.92 0.00 0.00 175.35 175.01 2jae s ASN 266 N 0.48 6.61 0.23 2.83 -0.87 -1.26 -1.01 114.94 121.95 2jae s ASN 266 Ca -0.04 2.60 0.01 0.00 -1.57 0.00 0.00 52.86 53.85 2jae s ASN 266 Cb -0.07 -2.59 -0.05 0.00 -0.02 0.00 0.00 41.25 38.52 2jae s ASN 266 CO -0.01 -0.80 0.09 0.68 -2.57 0.00 0.00 177.10 174.49 2jae s VAL 267 N 1.06 0.42 0.45 1.60 -7.23 -0.26 -4.92 120.40 111.52 2jae s VAL 267 Ca 0.69 -1.99 0.16 0.00 -1.81 0.00 0.00 61.98 59.03 2jae s VAL 267 Cb -0.43 -2.53 0.35 0.00 0.56 0.00 0.00 36.38 34.32 2jae s VAL 267 CO 0.32 -0.06 1.97 0.77 -0.31 0.00 0.00 175.10 177.78 2jae h SER 268 N 2.49 0.31 0.80 4.85 4.64 -2.02 -1.88 113.55 122.74 2jae h SER 268 Ca -0.37 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2jae h SER 268 Cb 1.24 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2jae h SER 268 CO 0.59 0.18 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.92 2jae n GLU 269 N -4.46 0.02 0.00 4.77 1.02 -1.26 -5.02 120.64 115.71 2jae n GLU 269 Ca 0.11 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2jae n GLU 269 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2jae n GLU 269 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jae n GLY 270 N 1.49 0.62 3.01 0.62 0.00 -0.71 -4.64 105.19 105.59 2jae n GLY 270 Ca 0.07 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 2jae n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jae s VAL 271 N 0.00 1.06 -0.16 1.61 1.01 0.71 -1.11 120.40 123.52 2jae s VAL 271 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2jae s VAL 271 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2jae s VAL 271 CO 0.00 0.34 -0.01 -0.89 0.00 0.00 0.00 175.10 174.54 2jae s THR 272 N 0.71 4.17 -0.13 3.92 2.01 -0.18 -1.44 115.64 124.70 2jae s THR 272 Ca -0.14 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2jae s THR 272 Cb -0.16 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.52 2jae s THR 272 CO 0.03 0.49 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 2jae s VAL 273 N 0.34 1.72 -0.04 3.82 1.01 0.52 -1.29 120.40 126.47 2jae s VAL 273 Ca -0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2jae s VAL 273 Cb -0.14 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2jae s VAL 273 CO 0.02 0.48 0.13 -1.61 0.00 0.00 0.00 175.10 174.12 2jae s GLU 274 N 0.99 3.29 0.07 2.72 2.02 -0.45 -0.94 118.70 126.39 2jae s GLU 274 Ca -0.05 -0.33 -0.16 0.00 0.02 0.00 0.00 54.97 54.44 2jae s GLU 274 Cb -0.15 -3.02 0.03 0.00 0.10 0.00 0.00 34.13 31.09 2jae s GLU 274 CO -0.03 0.69 0.38 1.52 0.02 0.00 0.00 175.26 177.85 2jae s TYR 275 N -1.18 -0.21 -0.18 1.61 -0.85 -0.53 -0.69 117.35 115.32 2jae s TYR 275 Ca 0.22 0.07 -0.05 0.00 -0.52 0.00 0.00 57.07 56.79 2jae s TYR 275 Cb -0.12 0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 2jae s TYR 275 CO 0.13 -0.59 -0.01 0.99 -1.52 0.00 0.00 175.55 174.55 2jae s THR 276 N -2.87 4.03 -0.04 -3.49 2.01 -0.36 -0.47 115.64 114.44 2jae s THR 276 Ca -0.03 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 2jae s THR 276 Cb 0.00 -2.79 0.03 0.00 0.01 0.00 0.00 72.50 69.75 2jae s THR 276 CO -0.05 0.46 0.08 0.00 -0.69 0.00 0.00 174.62 174.42 2jae s ALA 277 N 0.63 -0.02 -1.69 7.40 0.00 -0.46 -1.28 121.76 126.34 2jae s ALA 277 Ca -0.01 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 2jae s ALA 277 Cb -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2jae s ALA 277 CO 0.02 -0.24 0.26 0.41 0.00 0.00 0.00 175.76 176.21 2jae n GLY 278 N 4.52 -0.50 3.20 0.00 0.00 -1.26 -1.60 105.19 109.54 2jae n GLY 278 Ca -0.21 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2jae n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jae n GLY 279 N -1.23 1.94 3.90 -0.02 0.00 -1.26 -5.01 105.19 103.51 2jae n GLY 279 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2jae n GLY 279 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jae s SER 280 N -3.41 6.36 -0.16 1.61 0.15 -0.63 -5.08 113.70 112.55 2jae s SER 280 Ca 0.00 0.35 -0.20 0.00 0.70 0.00 0.00 55.95 56.79 2jae s SER 280 Cb 0.00 -2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 2jae s SER 280 CO 0.00 0.27 0.60 -0.54 1.20 0.00 0.00 173.24 174.77 2jae s LYS 281 N -1.91 4.27 0.20 5.44 -0.14 -1.26 -1.35 119.74 125.00 2jae s LYS 281 Ca 0.27 0.60 0.07 0.00 -1.36 0.00 0.00 55.97 55.55 2jae s LYS 281 Cb -0.13 -3.53 -0.05 0.00 -1.68 0.00 0.00 37.83 32.45 2jae s LYS 281 CO 0.18 -0.11 -0.11 0.15 -0.76 0.00 0.00 175.35 174.70 2jae s LYS 282 N 1.46 1.31 -0.02 1.68 -0.14 0.38 -5.01 119.74 119.40 2jae s LYS 282 Ca 0.29 -1.59 -0.06 0.00 -1.36 0.00 0.00 55.97 53.24 2jae s LYS 282 Cb -0.16 -0.99 0.00 0.00 -1.68 0.00 0.00 37.83 35.01 2jae s LYS 282 CO 0.11 0.12 0.13 0.45 -0.76 0.00 0.00 175.35 175.41 2jae s SER 283 N -3.30 -0.03 0.00 2.83 0.15 -1.26 -1.45 113.70 110.64 2jae s SER 283 Ca 0.23 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2jae s SER 283 Cb 0.01 0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2jae s SER 283 CO 0.06 -0.25 -0.01 -0.51 1.20 0.00 0.00 173.24 173.73 2jae s ILE 284 N -0.86 0.08 -0.05 6.45 2.07 -0.12 -5.00 121.20 123.76 2jae s ILE 284 Ca -0.09 -0.15 0.06 0.00 -1.41 0.00 0.00 60.65 59.05 2jae s ILE 284 Cb -0.05 -0.09 -0.02 0.00 0.13 0.00 0.00 42.46 42.43 2jae s ILE 284 CO 0.01 -0.05 -0.23 -0.89 -1.91 0.00 0.00 174.94 171.87 2jae s THR 285 N -0.21 2.25 0.15 4.00 2.01 -1.26 -0.36 115.64 122.22 2jae s THR 285 Ca -0.02 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 2jae s THR 285 Cb -0.02 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2jae s THR 285 CO -0.00 0.57 0.06 0.00 -0.69 0.00 0.00 174.62 174.56 2jae s ALA 286 N -0.33 0.96 0.25 7.40 0.00 -0.52 -4.97 121.76 124.55 2jae s ALA 286 Ca 0.02 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.44 2jae s ALA 286 Cb -0.12 0.92 0.31 0.00 0.00 0.00 0.00 23.12 24.23 2jae s ALA 286 CO 0.02 -0.49 1.70 -0.44 0.00 0.00 0.00 175.76 176.56 2jae h ASP 287 N 2.81 0.67 -4.83 0.00 3.32 -1.68 0.20 116.42 116.92 2jae h ASP 287 Ca -0.35 -0.21 -0.19 0.00 0.02 0.00 0.00 57.03 56.29 2jae h ASP 287 Cb 1.21 -0.18 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 2jae h ASP 287 CO 0.59 0.84 -0.69 -0.31 -1.72 0.00 0.00 179.24 177.95 2jae s TYR 288 N -4.69 0.74 0.01 4.55 2.02 -0.99 -4.29 117.35 114.69 2jae s TYR 288 Ca -0.08 -0.92 0.06 0.00 -0.37 0.00 0.00 57.07 55.75 2jae s TYR 288 Cb 0.14 -0.46 -0.02 0.00 -0.40 0.00 0.00 41.96 41.22 2jae s TYR 288 CO 0.81 -0.22 -0.18 0.00 -1.57 0.00 0.00 175.55 174.39 2jae s ALA 289 N -3.50 1.49 -0.26 3.71 0.00 -0.55 -1.29 121.76 121.34 2jae s ALA 289 Ca 0.08 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 2jae s ALA 289 Cb 0.05 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2jae s ALA 289 CO -0.06 0.35 -0.02 0.42 0.00 0.00 0.00 175.76 176.44 2jae s ILE 290 N -0.58 3.12 -0.37 0.00 1.01 -0.29 -0.76 121.20 123.33 2jae s ILE 290 Ca 0.06 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 2jae s ILE 290 Cb -0.07 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.79 2jae s ILE 290 CO 0.00 0.13 0.24 0.00 0.00 0.00 0.00 174.94 175.32 2jae n THR 292 N 5.07 0.76 -1.76 0.00 -2.24 -0.15 -1.86 114.28 114.10 2jae n THR 292 Ca -0.12 -0.88 -0.42 0.00 -2.27 0.00 0.00 64.05 60.37 2jae n THR 292 Cb 0.47 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 2jae n THR 292 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jae s ILE 293 N -1.02 2.03 0.31 2.28 1.01 -1.23 -4.88 121.20 119.69 2jae s ILE 293 Ca 0.24 0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.64 2jae s ILE 293 Cb 0.13 -3.02 -0.14 0.00 0.01 0.00 0.00 42.46 39.45 2jae s ILE 293 CO 0.18 0.00 1.04 -2.65 0.00 0.00 0.00 174.94 173.52 2jae n PRO 294 N 2.33 1.45 -0.22 2.79 -0.02 -1.26 -4.73 135.00 135.33 2jae n PRO 294 Ca 0.09 0.51 0.02 0.00 -2.02 0.00 0.00 63.50 62.09 2jae n PRO 294 Cb 0.37 -1.92 0.26 0.00 -0.02 0.00 0.00 33.50 32.19 2jae n PRO 294 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2jae h PRO 295 N 2.02 0.96 0.00 0.52 0.13 -1.90 -0.06 132.00 133.67 2jae h PRO 295 Ca -0.41 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jae h PRO 295 Cb 1.33 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2jae h PRO 295 CO 0.60 0.63 0.00 1.12 -0.23 0.00 0.00 178.00 180.13 2jae h HIS 296 N 0.99 0.00 0.00 1.56 2.07 -1.80 -2.61 115.15 115.36 2jae h HIS 296 Ca 0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 2jae h HIS 296 Cb -0.03 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.95 2jae h HIS 296 CO -0.00 0.00 -1.20 1.28 -3.07 0.00 0.00 177.93 174.94 2jae n LEU 297 N -2.96 0.63 -0.28 6.12 4.77 -0.05 -4.40 117.00 120.83 2jae n LEU 297 Ca -0.01 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.14 2jae n LEU 297 Cb 0.17 -0.06 0.12 0.00 -2.33 0.00 0.00 43.42 41.32 2jae n LEU 297 CO 0.22 -0.11 1.12 0.58 -1.33 0.00 0.00 177.39 177.88 2jae h VAL 298 N 0.00 1.25 0.00 4.08 2.07 -1.29 -2.62 116.25 119.74 2jae h VAL 298 Ca 0.00 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2jae h VAL 298 Cb 0.95 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2jae h VAL 298 CO 0.00 0.29 -0.01 1.23 0.02 0.00 0.00 177.57 179.11 2jae h GLY 299 N 1.17 0.00 2.00 2.17 0.00 -1.77 -1.28 103.07 105.36 2jae h GLY 299 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2jae h GLY 299 CO -0.04 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.71 2jae h ARG 300 N 0.00 0.00 -7.00 4.80 3.08 -1.74 -3.45 114.38 110.08 2jae h ARG 300 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 2jae h ARG 300 Cb 0.10 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.19 2jae h ARG 300 CO 0.00 0.00 0.44 -0.51 -1.07 0.00 0.00 179.97 178.83 2jae s LEU 301 N -5.61 4.04 0.22 3.04 1.43 -0.48 -5.00 118.68 116.31 2jae s LEU 301 Ca 0.05 2.14 -0.31 0.00 -1.03 0.00 0.00 54.13 54.99 2jae s LEU 301 Cb 0.08 -4.27 -0.10 0.00 0.03 0.00 0.00 46.19 41.93 2jae s LEU 301 CO 0.57 -0.73 1.53 -1.10 0.23 0.00 0.00 176.35 176.85 2jae s GLN 302 N -2.70 4.22 0.26 1.70 -1.52 -0.49 -4.92 119.66 116.20 2jae s GLN 302 Ca 0.62 2.38 -0.20 0.00 -1.95 0.00 0.00 55.36 56.21 2jae s GLN 302 Cb -0.24 -3.11 0.02 0.00 -0.22 0.00 0.00 33.01 29.46 2jae s GLN 302 CO 0.30 -0.54 0.67 0.54 -0.25 0.00 0.00 175.29 176.00 2jae s ASN 303 N 0.73 -0.26 -0.25 5.90 4.22 -1.26 -1.04 114.94 122.98 2jae s ASN 303 Ca 0.65 -0.60 0.14 0.00 -2.14 0.00 0.00 52.86 50.91 2jae s ASN 303 Cb -0.44 0.69 0.47 0.00 1.28 0.00 0.00 41.25 43.26 2jae s ASN 303 CO 0.39 -1.28 1.17 -0.46 -2.04 0.00 0.00 177.10 174.87 2jae n ASN 304 N -0.44 3.22 -4.75 3.54 0.23 -1.25 -5.01 115.26 110.79 2jae n ASN 304 Ca -0.05 -3.08 -0.41 0.00 -0.53 0.00 0.00 54.58 50.51 2jae n ASN 304 Cb 0.60 -0.40 -0.04 0.00 -2.08 0.00 0.00 39.78 37.86 2jae n ASN 304 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2jae s LEU 305 N -3.38 4.52 0.80 -4.53 1.43 -1.26 -4.89 118.68 111.36 2jae s LEU 305 Ca 0.41 2.31 -0.14 0.00 -1.03 0.00 0.00 54.13 55.67 2jae s LEU 305 Cb 0.38 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 43.04 2jae s LEU 305 CO -0.01 -0.24 1.14 -2.65 0.23 0.00 0.00 176.35 174.82 2jae n PRO 306 N 1.45 0.24 -0.32 1.29 -0.02 -1.26 -4.78 135.00 131.60 2jae n PRO 306 Ca 0.00 0.15 0.05 0.00 -2.02 0.00 0.00 63.50 61.68 2jae n PRO 306 Cb 0.44 -2.39 0.24 0.00 -0.02 0.00 0.00 33.50 31.78 2jae n PRO 306 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2jae h GLY 307 N -0.79 1.38 2.00 -1.23 0.00 -1.99 -1.73 103.07 100.70 2jae h GLY 307 Ca -0.46 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.37 2jae h GLY 307 CO 0.46 0.27 -0.38 1.29 0.00 0.00 0.00 176.54 178.18 2jae h ASP 308 N 1.02 0.00 -0.13 0.19 2.03 -1.99 -0.68 116.42 116.87 2jae h ASP 308 Ca 0.41 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.65 2jae h ASP 308 Cb 0.27 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.77 2jae h ASP 308 CO -0.17 0.38 -0.17 0.58 -1.03 0.00 0.00 179.24 178.83 2jae h VAL 309 N 0.00 1.37 -0.89 4.15 2.07 -1.70 -1.11 116.25 120.14 2jae h VAL 309 Ca -0.00 -1.39 0.04 0.00 0.82 0.00 0.00 66.70 66.17 2jae h VAL 309 Cb 0.71 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 2jae h VAL 309 CO 0.05 0.40 0.57 -0.07 0.02 0.00 0.00 177.57 178.55 2jae h LEU 310 N -0.07 0.95 -0.49 2.57 3.38 -1.12 -0.83 115.31 119.70 2jae h LEU 310 Ca 0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2jae h LEU 310 Cb 0.73 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2jae h LEU 310 CO 0.04 0.65 0.10 0.74 0.09 0.00 0.00 178.44 180.06 2jae h THR 311 N 1.11 1.24 -0.85 0.22 2.02 -1.12 -2.96 112.91 112.56 2jae h THR 311 Ca 0.36 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 2jae h THR 311 Cb 0.03 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2jae h THR 311 CO -0.13 0.32 0.51 0.00 0.37 0.00 0.00 175.52 176.59 2jae h ALA 312 N 0.98 1.08 -0.68 6.16 0.00 -0.61 -2.31 119.26 123.87 2jae h ALA 312 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2jae h ALA 312 Cb 0.36 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2jae h ALA 312 CO 0.01 0.54 0.45 -0.07 0.00 0.00 0.00 179.25 180.17 2jae h LEU 313 N 1.16 0.68 -0.78 0.00 3.38 -1.05 -1.88 115.31 116.82 2jae h LEU 313 Ca 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2jae h LEU 313 Cb -0.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2jae h LEU 313 CO -0.06 0.46 0.00 0.29 0.09 0.00 0.00 178.44 179.23 2jae n LYS 314 N -4.46 0.21 0.22 1.13 5.02 -0.87 -2.70 118.16 116.70 2jae n LYS 314 Ca 0.09 0.44 0.14 0.00 -2.02 0.00 0.00 58.31 56.96 2jae n LYS 314 Cb 0.15 -1.90 0.43 0.00 -0.02 0.00 0.00 35.03 33.69 2jae n LYS 314 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jae h ALA 315 N 2.24 1.00 -1.44 7.82 0.00 -1.32 -3.40 119.26 124.16 2jae h ALA 315 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 2jae h ALA 315 Cb 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.02 2jae h ALA 315 CO 0.00 0.00 1.20 0.00 0.00 0.00 0.00 179.25 180.45 2jae s ALA 316 N -3.39 2.97 0.19 0.00 0.00 -1.10 -1.03 121.76 119.41 2jae s ALA 316 Ca 0.05 -2.41 -0.30 0.00 0.00 0.00 0.00 51.96 49.30 2jae s ALA 316 Cb 0.08 -4.32 -0.08 0.00 0.00 0.00 0.00 23.12 18.80 2jae s ALA 316 CO 0.58 -3.34 1.04 0.15 0.00 0.00 0.00 175.76 174.19 2jae s LYS 317 N 4.11 4.68 0.71 0.00 -0.14 -0.41 -4.56 119.74 124.14 2jae s LYS 317 Ca 0.40 1.62 -0.16 0.00 -1.36 0.00 0.00 55.97 56.47 2jae s LYS 317 Cb -0.03 -3.29 0.03 0.00 -1.68 0.00 0.00 37.83 32.87 2jae s LYS 317 CO -0.08 0.22 1.24 -2.14 -0.76 0.00 0.00 175.35 173.82 2jae s PRO 318 N -0.60 2.18 0.08 -1.68 0.02 -1.26 -0.62 135.00 133.12 2jae s PRO 318 Ca 0.46 1.88 0.07 0.00 0.02 0.00 0.00 61.00 63.43 2jae s PRO 318 Cb -0.28 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.39 2jae s PRO 318 CO 0.34 -1.83 -0.18 -1.12 -0.33 0.00 0.00 177.00 173.88 2jae s SER 319 N -1.80 2.14 -0.11 2.53 0.01 -1.05 -4.76 113.70 110.66 2jae s SER 319 Ca 0.77 -0.64 -0.15 0.00 1.31 0.00 0.00 55.95 57.24 2jae s SER 319 Cb -0.32 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.75 2jae s SER 319 CO 0.44 0.01 0.38 -0.94 0.41 0.00 0.00 173.24 173.54 2jae s SER 320 N -1.75 6.60 0.01 2.44 1.04 -1.26 -0.89 113.70 119.89 2jae s SER 320 Ca 0.03 0.71 -0.28 0.00 0.48 0.00 0.00 55.95 56.89 2jae s SER 320 Cb -0.10 -2.23 0.07 0.00 0.10 0.00 0.00 66.02 63.86 2jae s SER 320 CO 0.03 0.12 0.64 -0.55 0.98 0.00 0.00 173.24 174.46 2jae s SER 321 N 0.17 -0.61 0.12 7.02 0.15 -1.26 -1.26 113.70 118.03 2jae s SER 321 Ca 0.21 0.49 -0.25 0.00 0.70 0.00 0.00 55.95 57.11 2jae s SER 321 Cb -0.14 0.55 0.07 0.00 -1.71 0.00 0.00 66.02 64.78 2jae s SER 321 CO 0.08 -0.70 0.84 -0.83 1.20 0.00 0.00 173.24 173.83 2jae s GLY 322 N -1.63 -0.35 0.05 9.45 0.00 -0.50 -0.72 107.32 113.63 2jae s GLY 322 Ca -0.08 0.39 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 2jae s GLY 322 CO 0.03 0.12 -0.02 0.54 0.00 0.00 0.00 173.10 173.77 2jae s LYS 323 N -3.40 0.58 -0.02 2.90 1.02 -0.52 -1.92 119.74 118.37 2jae s LYS 323 Ca 0.08 -1.12 -0.00 0.00 0.02 0.00 0.00 55.97 54.94 2jae s LYS 323 Cb -0.02 0.20 0.03 0.00 -0.52 0.00 0.00 37.83 37.52 2jae s LYS 323 CO -0.03 -0.11 0.04 -1.17 -0.92 0.00 0.00 175.35 173.16 2jae s LEU 324 N -2.71 1.12 -0.08 3.17 0.20 -0.90 -1.20 118.68 118.28 2jae s LEU 324 Ca 0.04 0.07 0.01 0.00 0.69 0.00 0.00 54.13 54.93 2jae s LEU 324 Cb 0.05 -0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.78 2jae s LEU 324 CO -0.09 -0.12 -0.09 -0.83 -0.29 0.00 0.00 176.35 174.93 2jae s GLY 325 N 0.98 1.64 -0.16 7.98 0.00 -0.17 -0.09 107.32 117.50 2jae s GLY 325 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.75 2jae s GLY 325 CO -0.03 -0.58 -0.19 -0.42 0.00 0.00 0.00 173.10 171.88 2jae s ILE 326 N -0.55 2.28 -0.18 0.90 1.01 0.29 -1.45 121.20 123.50 2jae s ILE 326 Ca 0.08 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.60 2jae s ILE 326 Cb -0.12 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 2jae s ILE 326 CO 0.02 0.53 0.76 -0.70 0.00 0.00 0.00 174.94 175.55 2jae s GLU 327 N 0.98 4.27 -0.02 2.79 2.12 -0.12 -0.66 118.70 128.06 2jae s GLU 327 Ca -0.03 0.88 -0.02 0.00 0.36 0.00 0.00 54.97 56.17 2jae s GLU 327 Cb -0.15 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 2jae s GLU 327 CO -0.05 -0.29 0.10 0.71 -0.54 0.00 0.00 175.26 175.20 2jae s TYR 328 N 2.04 3.37 -1.62 5.30 2.02 0.01 -0.29 117.35 128.19 2jae s TYR 328 Ca 0.35 0.27 0.09 0.00 -0.37 0.00 0.00 57.07 57.41 2jae s TYR 328 Cb -0.16 -1.78 0.31 0.00 -0.40 0.00 0.00 41.96 39.93 2jae s TYR 328 CO 0.12 0.59 1.19 -1.13 -1.57 0.00 0.00 175.55 174.74 2jae n SER 329 N 1.28 2.14 -3.70 2.29 3.41 0.14 -1.59 113.62 117.59 2jae n SER 329 Ca -0.14 -2.12 -0.11 0.00 -0.26 0.00 0.00 58.87 56.25 2jae n SER 329 Cb 0.53 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 2jae n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2jae s ARG 330 N -1.62 0.41 -1.32 4.33 3.52 -1.22 -4.57 118.95 118.47 2jae s ARG 330 Ca 0.23 0.75 -0.08 0.00 -0.13 0.00 0.00 55.73 56.50 2jae s ARG 330 Cb 0.13 0.02 0.13 0.00 -1.56 0.00 0.00 34.95 33.67 2jae s ARG 330 CO 0.13 -0.14 2.14 0.54 -0.81 0.00 0.00 175.30 177.16 2jae n ARG 331 N 4.03 3.97 0.27 5.12 1.74 -1.26 -4.75 116.66 125.77 2jae n ARG 331 Ca -0.22 -3.39 0.10 0.00 -0.77 0.00 0.00 57.85 53.57 2jae n ARG 331 Cb 0.55 -2.82 0.70 0.00 -1.02 0.00 0.00 32.46 29.88 2jae n ARG 331 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2jae h TRP 332 N 5.28 0.00 -0.65 -1.55 5.08 -1.97 -1.74 115.95 120.40 2jae h TRP 332 Ca 0.54 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.43 2jae h TRP 332 Cb 0.49 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.62 2jae h TRP 332 CO 1.43 0.01 0.07 0.11 -1.28 0.00 0.00 178.44 178.78 2jae h TRP 333 N 0.00 1.17 -0.00 0.12 0.09 -1.86 0.15 115.95 115.62 2jae h TRP 333 Ca -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 58.89 58.80 2jae h TRP 333 Cb 0.01 -0.32 0.00 0.00 0.08 0.00 0.00 29.16 28.94 2jae h TRP 333 CO 0.00 1.00 -0.01 0.93 0.09 0.00 0.00 178.44 180.45 2jae h GLU 334 N 1.01 0.01 -0.19 0.12 5.08 -1.19 0.72 114.58 120.15 2jae h GLU 334 Ca 0.19 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.37 2jae h GLU 334 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2jae h GLU 334 CO 0.02 0.70 -0.60 1.79 -1.00 0.00 0.00 179.01 179.92 2jae h THR 335 N -0.69 1.31 0.00 1.13 1.35 -1.28 -2.79 112.91 111.95 2jae h THR 335 Ca -0.00 -1.85 -0.42 0.00 -0.55 0.00 0.00 66.41 63.59 2jae h THR 335 Cb 0.70 1.81 -0.06 0.00 -1.73 0.00 0.00 68.15 68.87 2jae h THR 335 CO 0.00 0.58 -2.39 -0.62 -0.25 0.00 0.00 175.52 172.84 2jae n GLU 336 N -3.95 0.58 0.00 4.72 1.02 0.50 -4.64 120.64 118.88 2jae n GLU 336 Ca -0.04 0.27 0.13 0.00 -0.02 0.00 0.00 57.16 57.50 2jae n GLU 336 Cb 0.64 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.92 2jae n GLU 336 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jae n ASP 337 N -4.27 0.64 -3.73 1.62 8.00 -1.00 -4.94 116.55 112.88 2jae n ASP 337 Ca -0.51 -0.46 -0.26 0.00 0.71 0.00 0.00 54.79 54.27 2jae n ASP 337 Cb 0.85 0.13 0.06 0.00 -0.02 0.00 0.00 41.12 42.14 2jae n ASP 337 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jae n ARG 338 N -1.15 -6.94 -3.78 -1.24 5.12 -0.52 -4.95 116.66 103.20 2jae n ARG 338 Ca 0.09 0.73 -0.37 0.00 -1.93 0.00 0.00 57.85 56.37 2jae n ARG 338 Cb 0.33 -5.72 -0.13 0.00 -1.16 0.00 0.00 32.46 25.79 2jae n ARG 338 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jae s ILE 339 N -3.32 3.93 -0.35 0.55 1.01 0.13 -4.86 121.20 118.29 2jae s ILE 339 Ca 0.60 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.64 2jae s ILE 339 Cb -0.28 -2.98 0.10 0.00 0.01 0.00 0.00 42.46 39.30 2jae s ILE 339 CO 0.77 0.14 0.08 -0.31 0.00 0.00 0.00 174.94 175.63 2jae s TYR 340 N 1.51 3.63 0.05 3.97 2.02 -1.26 -2.78 117.35 124.48 2jae s TYR 340 Ca 0.03 -2.67 0.00 0.00 -0.37 0.00 0.00 57.07 54.07 2jae s TYR 340 Cb -0.17 -2.86 0.00 0.00 -0.40 0.00 0.00 41.96 38.53 2jae s TYR 340 CO 0.02 -0.94 0.00 0.41 -1.57 0.00 0.00 175.55 173.47 2jae n GLY 341 N 4.41 -1.80 4.34 0.71 0.00 -1.17 -4.99 105.19 106.69 2jae n GLY 341 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2jae n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jae n GLY 342 N -0.77 -2.15 2.96 -0.02 0.00 -1.05 -4.67 105.19 99.48 2jae n GLY 342 Ca 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2jae n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jae s ALA 343 N -1.02 -0.19 0.31 4.61 0.00 -1.26 -0.50 121.76 123.71 2jae s ALA 343 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 2jae s ALA 343 Cb 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 2jae s ALA 343 CO 0.00 -0.05 0.77 -1.12 0.00 0.00 0.00 175.76 175.36 2jae s SER 344 N -0.07 6.89 -0.00 0.00 0.01 0.08 -4.54 113.70 116.06 2jae s SER 344 Ca -0.01 1.39 0.07 0.00 1.31 0.00 0.00 55.95 58.70 2jae s SER 344 Cb -0.01 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 2jae s SER 344 CO 0.00 -0.16 -0.20 0.21 0.41 0.00 0.00 173.24 173.50 2jae s ASN 345 N -2.08 2.41 0.13 2.44 3.84 0.30 -1.48 114.94 120.50 2jae s ASN 345 Ca 0.52 -0.40 -0.15 0.00 0.21 0.00 0.00 52.86 53.04 2jae s ASN 345 Cb -0.12 -0.25 0.03 0.00 -0.55 0.00 0.00 41.25 40.36 2jae s ASN 345 CO 0.18 0.23 0.40 0.28 -2.79 0.00 0.00 177.10 175.40 2jae s THR 346 N -0.55 0.07 -1.35 -5.21 -1.32 -0.49 -1.76 115.64 105.03 2jae s THR 346 Ca 0.08 -0.68 0.27 0.00 -1.21 0.00 0.00 61.69 60.15 2jae s THR 346 Cb -0.08 -1.26 0.24 0.00 -1.51 0.00 0.00 72.50 69.89 2jae s THR 346 CO -0.00 -0.31 1.68 -0.90 -2.21 0.00 0.00 174.62 172.88 2jae n ASP 347 N -0.23 0.49 -4.66 8.08 5.75 -1.18 -4.36 116.55 120.43 2jae n ASP 347 Ca -0.15 -0.33 -0.31 0.00 -0.01 0.00 0.00 54.79 54.00 2jae n ASP 347 Cb 0.63 -0.02 0.17 0.00 -1.03 0.00 0.00 41.12 40.88 2jae n ASP 347 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2jae s LYS 348 N -2.74 0.91 0.31 0.11 1.02 -1.26 -4.87 119.74 113.22 2jae s LYS 348 Ca 0.20 1.35 0.04 0.00 0.02 0.00 0.00 55.97 57.58 2jae s LYS 348 Cb 0.19 -1.73 0.64 0.00 -0.52 0.00 0.00 37.83 36.41 2jae s LYS 348 CO 0.56 -2.64 1.85 -0.44 -0.92 0.00 0.00 175.35 173.76 2jae h ASP 349 N -1.87 0.84 -0.56 2.83 3.32 -1.91 -0.12 116.42 118.95 2jae h ASP 349 Ca -0.46 0.04 0.16 0.00 0.02 0.00 0.00 57.03 56.79 2jae h ASP 349 Cb 1.27 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2jae h ASP 349 CO 0.45 0.44 0.40 0.16 -1.72 0.00 0.00 179.24 178.97 2jae h ILE 350 N 0.90 0.73 0.00 0.35 3.07 -1.91 -3.44 117.51 117.22 2jae h ILE 350 Ca 0.48 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.88 2jae h ILE 350 Cb 0.55 0.70 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 2jae h ILE 350 CO -0.24 0.01 0.00 -1.20 -1.05 0.00 0.00 178.15 175.66 2jae n SER 351 N -4.38 0.00 -3.49 2.16 7.64 -0.06 -3.09 113.62 112.39 2jae n SER 351 Ca 0.10 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.84 2jae n SER 351 Cb 0.61 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 2jae n SER 351 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jae s GLN 352 N 0.00 1.05 -0.17 1.43 -2.07 -1.26 -1.40 119.66 117.24 2jae s GLN 352 Ca 0.00 -0.05 0.01 0.00 -1.82 0.00 0.00 55.36 53.50 2jae s GLN 352 Cb 0.00 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.43 2jae s GLN 352 CO 0.00 -0.39 -0.20 0.42 -1.32 0.00 0.00 175.29 173.80 2jae s ILE 353 N -2.21 2.11 -0.20 3.63 1.01 -0.55 -3.25 121.20 121.73 2jae s ILE 353 Ca -0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2jae s ILE 353 Cb -0.00 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 2jae s ILE 353 CO -0.00 0.54 -0.04 -0.04 0.00 0.00 0.00 174.94 175.40 2jae s MET 354 N 1.20 3.46 0.12 2.79 -1.94 0.13 -0.74 119.30 124.33 2jae s MET 354 Ca 0.03 -0.59 -0.12 0.00 -1.71 0.00 0.00 55.69 53.30 2jae s MET 354 Cb -0.14 -2.99 -0.06 0.00 2.01 0.00 0.00 34.83 33.65 2jae s MET 354 CO -0.10 -0.07 0.48 -0.06 -0.01 0.00 0.00 175.02 175.25 2jae s PHE 355 N 1.17 3.58 0.68 -0.03 0.08 0.35 -0.82 117.98 122.99 2jae s PHE 355 Ca 0.02 0.91 -0.15 0.00 0.12 0.00 0.00 56.93 57.83 2jae s PHE 355 Cb -0.14 -2.25 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 2jae s PHE 355 CO -0.00 0.46 1.12 -1.25 -0.10 0.00 0.00 175.22 175.44 2jae s PRO 356 N -2.02 2.67 -0.03 0.24 0.04 -1.26 -3.85 135.00 130.80 2jae s PRO 356 Ca 0.36 1.41 0.13 0.00 0.04 0.00 0.00 61.00 62.94 2jae s PRO 356 Cb -0.14 -1.93 0.38 0.00 0.04 0.00 0.00 34.50 32.85 2jae s PRO 356 CO 0.19 -1.35 1.32 2.48 0.04 0.00 0.00 177.00 179.68 2jae n TYR 357 N -2.56 0.62 -4.28 0.56 0.18 -1.26 -3.01 117.16 107.41 2jae n TYR 357 Ca 0.11 -0.56 -0.16 0.00 1.88 0.00 0.00 57.90 59.17 2jae n TYR 357 Cb 0.52 -0.07 -0.10 0.00 -0.38 0.00 0.00 39.34 39.31 2jae n TYR 357 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 2jae s ASP 358 N -1.12 1.00 -1.39 9.48 3.84 -1.26 -4.86 116.67 122.35 2jae s ASP 358 Ca 0.29 -1.49 -0.08 0.00 -0.00 0.00 0.00 52.55 51.27 2jae s ASP 358 Cb 0.17 0.36 0.05 0.00 -1.38 0.00 0.00 42.92 42.12 2jae s ASP 358 CO 0.17 -0.86 0.56 1.41 -0.00 0.00 0.00 175.17 176.44 2jae n HIS 359 N -0.45 -1.89 -1.71 2.11 8.25 -1.26 -4.88 115.22 115.38 2jae n HIS 359 Ca 0.02 0.51 -0.43 0.00 -0.26 0.00 0.00 57.72 57.56 2jae n HIS 359 Cb 0.65 -3.57 -0.02 0.00 1.12 0.00 0.00 29.99 28.17 2jae n HIS 359 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2jae n TYR 360 N -4.19 2.53 -1.06 4.41 4.01 -1.26 -1.48 117.16 120.11 2jae n TYR 360 Ca -0.05 0.40 -0.02 0.00 -0.16 0.00 0.00 57.90 58.07 2jae n TYR 360 Cb 0.57 -2.51 -0.01 0.00 -0.31 0.00 0.00 39.34 37.08 2jae n TYR 360 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jae n ASN 361 N 1.67 -4.75 -2.05 7.72 3.02 -1.26 -5.01 115.26 114.59 2jae n ASN 361 Ca 0.08 0.05 -0.01 0.00 -0.03 0.00 0.00 54.58 54.67 2jae n ASN 361 Cb 0.35 -2.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.08 2jae n ASN 361 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jae n SER 362 N -0.50 0.00 -0.41 6.41 2.88 -0.55 -5.00 113.62 116.45 2jae n SER 362 Ca -0.02 -1.01 0.12 0.00 -1.33 0.00 0.00 58.87 56.63 2jae n SER 362 Cb 0.32 -0.02 0.17 0.00 -0.75 0.00 0.00 64.21 63.92 2jae n SER 362 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2jae n ASP 363 N -3.02 1.64 -3.68 -3.46 5.75 -1.26 -4.66 116.55 107.86 2jae n ASP 363 Ca 0.00 -1.28 -0.09 0.00 -0.01 0.00 0.00 54.79 53.42 2jae n ASP 363 Cb 0.01 0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.40 2jae n ASP 363 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jae s ARG 364 N -2.46 1.52 -0.21 0.11 1.70 -1.26 -3.42 118.95 114.94 2jae s ARG 364 Ca 0.22 -0.75 -0.36 0.00 -0.47 0.00 0.00 55.73 54.37 2jae s ARG 364 Cb 0.19 0.58 0.14 0.00 -0.57 0.00 0.00 34.95 35.29 2jae s ARG 364 CO 0.54 -0.69 1.25 0.20 -1.08 0.00 0.00 175.30 175.52 2jae s GLY 365 N -2.84 -0.28 -0.22 3.88 0.00 -0.62 -4.86 107.32 102.37 2jae s GLY 365 Ca 0.07 1.64 -0.12 0.00 0.00 0.00 0.00 44.72 46.31 2jae s GLY 365 CO -0.01 0.54 0.21 0.14 0.00 0.00 0.00 173.10 173.97 2jae s VAL 366 N -2.33 5.34 -0.14 1.40 1.01 -1.26 -0.81 120.40 123.61 2jae s VAL 366 Ca 0.10 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 2jae s VAL 366 Cb -0.01 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2jae s VAL 366 CO -0.04 0.35 0.05 -0.69 0.00 0.00 0.00 175.10 174.77 2jae s VAL 367 N 0.96 4.73 -0.72 2.92 1.01 0.16 -4.05 120.40 125.41 2jae s VAL 367 Ca 0.10 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 2jae s VAL 367 Cb -0.13 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.23 2jae s VAL 367 CO 0.04 0.54 1.16 -0.69 0.00 0.00 0.00 175.10 176.15 2jae s VAL 368 N -0.34 3.99 0.11 2.92 1.01 0.00 -0.55 120.40 127.55 2jae s VAL 368 Ca 0.08 0.01 0.24 0.00 0.00 0.00 0.00 61.98 62.32 2jae s VAL 368 Cb -0.12 -4.83 0.24 0.00 0.00 0.00 0.00 36.38 31.67 2jae s VAL 368 CO 0.02 -1.70 1.82 0.00 0.00 0.00 0.00 175.10 175.24 2jae h ALA 369 N 9.81 1.01 -2.39 5.51 0.00 -0.79 0.40 119.26 132.81 2jae h ALA 369 Ca -0.26 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2jae h ALA 369 Cb 1.06 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.61 2jae h ALA 369 CO 1.24 0.27 -0.15 1.52 0.00 0.00 0.00 179.25 182.13 2jae s TYR 370 N -3.62 -0.32 -0.29 0.00 -0.85 -1.19 -4.59 117.35 106.48 2jae s TYR 370 Ca 0.01 0.55 -0.04 0.00 -0.52 0.00 0.00 57.07 57.07 2jae s TYR 370 Cb 0.10 0.18 0.10 0.00 0.38 0.00 0.00 41.96 42.72 2jae s TYR 370 CO 0.64 -0.43 0.13 -0.47 -1.52 0.00 0.00 175.55 173.89 2jae s TYR 371 N -1.18 0.42 0.14 -3.49 5.04 -1.18 -2.12 117.35 114.98 2jae s TYR 371 Ca -0.12 -0.93 0.06 0.00 -2.44 0.00 0.00 57.07 53.64 2jae s TYR 371 Cb -0.04 -0.96 -0.04 0.00 0.35 0.00 0.00 41.96 41.28 2jae s TYR 371 CO 0.05 -0.83 -0.14 -1.54 -1.34 0.00 0.00 175.55 171.76 2jae s SER 372 N 2.06 2.07 0.06 4.32 1.04 -0.81 -4.23 113.70 118.22 2jae s SER 372 Ca 0.09 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 2jae s SER 372 Cb -0.16 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 2jae s SER 372 CO -0.35 -0.17 -0.03 -0.44 0.98 0.00 0.00 173.24 173.22 2jae s SER 373 N -2.68 0.56 0.95 7.02 0.01 -1.26 -1.40 113.70 116.89 2jae s SER 373 Ca 0.12 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2jae s SER 373 Cb -0.03 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2jae s SER 373 CO 0.03 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2jae n GLY 374 N 0.08 2.53 0.30 3.44 0.00 -0.39 -2.84 105.19 108.31 2jae n GLY 374 Ca -0.13 -0.44 0.07 0.00 0.00 0.00 0.00 46.02 45.52 2jae n GLY 374 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jae h LYS 375 N 0.00 0.50 0.00 1.61 3.64 -1.99 -0.03 116.57 120.31 2jae h LYS 375 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jae h LYS 375 Cb 0.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2jae h LYS 375 CO 0.00 0.33 0.00 0.54 -2.27 0.00 0.00 179.45 178.05 2jae n ARG 376 N -4.95 0.20 -0.06 1.90 1.74 -1.13 -2.29 116.66 112.06 2jae n ARG 376 Ca 0.17 0.06 -0.12 0.00 -0.77 0.00 0.00 57.85 57.20 2jae n ARG 376 Cb 0.46 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.26 2jae n ARG 376 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2jae n GLN 377 N -1.38 0.67 -0.20 5.56 -0.06 -0.15 -4.19 117.38 117.63 2jae n GLN 377 Ca 0.09 0.15 0.23 0.00 -2.00 0.00 0.00 57.00 55.47 2jae n GLN 377 Cb 0.24 -1.64 0.60 0.00 -4.06 0.00 0.00 30.24 25.38 2jae n GLN 377 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2jae h GLU 378 N 0.01 0.22 0.00 3.69 5.08 -0.77 0.11 114.58 122.92 2jae h GLU 378 Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2jae h GLU 378 Cb 2.10 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2jae h GLU 378 CO 0.04 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 2jae h ALA 379 N 1.60 1.00 0.00 3.43 0.00 -1.66 -3.15 119.26 120.48 2jae h ALA 379 Ca 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.24 2jae h ALA 379 Cb 1.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2jae h ALA 379 CO -0.11 0.00 -1.54 1.19 0.00 0.00 0.00 179.25 178.80 2jae n PHE 380 N -2.46 0.00 -0.32 0.00 3.72 0.18 -4.76 117.46 113.82 2jae n PHE 380 Ca 0.01 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.44 2jae n PHE 380 Cb 0.18 -0.36 0.18 0.00 -0.94 0.00 0.00 39.48 38.54 2jae n PHE 380 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2jae h GLU 381 N 0.00 0.90 -0.01 -1.08 4.81 -0.99 -1.89 114.58 116.33 2jae h GLU 381 Ca -0.17 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2jae h GLU 381 Cb 1.23 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2jae h GLU 381 CO 0.01 0.60 -0.27 0.43 -0.73 0.00 0.00 179.01 179.04 2jae n SER 382 N -4.65 1.00 -4.82 1.04 7.64 -1.26 -4.88 113.62 107.68 2jae n SER 382 Ca 0.15 -0.86 -0.33 0.00 1.01 0.00 0.00 58.87 58.84 2jae n SER 382 Cb 0.26 0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 2jae n SER 382 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jae s LEU 383 N -2.53 3.93 0.87 -3.43 1.43 -0.71 -5.06 118.68 113.19 2jae s LEU 383 Ca 0.24 1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 2jae s LEU 383 Cb 0.19 -4.51 0.12 0.00 0.03 0.00 0.00 46.19 42.01 2jae s LEU 383 CO 0.53 -0.36 1.10 0.42 0.23 0.00 0.00 176.35 178.27 2jae s THR 384 N -2.19 2.73 0.23 5.49 -4.23 -1.26 -4.74 115.64 111.67 2jae s THR 384 Ca 0.61 0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 61.29 2jae s THR 384 Cb -0.09 -2.57 0.18 0.00 1.34 0.00 0.00 72.50 71.36 2jae s THR 384 CO 0.14 -0.31 1.83 -0.74 -0.54 0.00 0.00 174.62 175.00 2jae h HIS 385 N -1.55 0.85 -0.79 3.99 2.76 -1.97 0.75 115.15 119.19 2jae h HIS 385 Ca -0.46 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 57.78 2jae h HIS 385 Cb 1.26 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.90 2jae h HIS 385 CO 0.49 0.42 0.50 0.00 -1.30 0.00 0.00 177.93 178.04 2jae h ARG 386 N 0.84 0.92 -0.45 5.26 3.08 -1.99 0.20 114.38 122.24 2jae h ARG 386 Ca 0.34 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.22 2jae h ARG 386 Cb 0.19 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2jae h ARG 386 CO -0.18 0.61 -0.19 1.96 -1.07 0.00 0.00 179.97 181.10 2jae h GLN 387 N 0.95 0.88 -0.45 0.04 4.20 -1.69 -1.69 115.11 117.35 2jae h GLN 387 Ca 0.33 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.71 2jae h GLN 387 Cb 0.07 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2jae h GLN 387 CO -0.13 0.99 0.27 0.00 -0.67 0.00 0.00 178.83 179.29 2jae h ARG 388 N 0.77 0.53 -0.22 1.46 3.08 -0.19 -1.81 114.38 118.00 2jae h ARG 388 Ca 0.11 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2jae h ARG 388 Cb 0.72 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2jae h ARG 388 CO 0.06 0.35 0.11 1.25 -1.07 0.00 0.00 179.97 180.67 2jae h LEU 389 N 0.55 0.29 -0.53 3.04 5.85 -0.84 -0.11 115.31 123.56 2jae h LEU 389 Ca 0.18 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2jae h LEU 389 Cb -0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2jae h LEU 389 CO -0.07 0.34 0.32 0.00 -0.34 0.00 0.00 178.44 178.68 2jae h ALA 390 N 0.97 0.67 -0.49 1.25 0.00 -1.17 0.66 119.26 121.16 2jae h ALA 390 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2jae h ALA 390 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jae h ALA 390 CO -0.01 0.03 0.12 -0.22 0.00 0.00 0.00 179.25 179.17 2jae h LYS 391 N 0.64 0.79 -0.61 0.00 3.64 -1.21 -1.35 116.57 118.46 2jae h LYS 391 Ca 0.21 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2jae h LYS 391 Cb 0.01 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2jae h LYS 391 CO -0.09 0.76 0.33 0.00 -2.27 0.00 0.00 179.45 178.18 2jae h ALA 392 N 0.99 0.79 -0.38 5.00 0.00 -0.50 -1.38 119.26 123.77 2jae h ALA 392 Ca 0.15 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2jae h ALA 392 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jae h ALA 392 CO 0.00 0.31 -0.04 0.82 0.00 0.00 0.00 179.25 180.34 2jae h ILE 393 N 0.83 1.27 0.14 0.00 2.04 -0.76 -0.40 117.51 120.63 2jae h ILE 393 Ca 0.21 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2jae h ILE 393 Cb 0.05 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2jae h ILE 393 CO -0.03 0.36 -0.07 0.00 0.00 0.00 0.00 178.15 178.41 2jae h ALA 394 N 0.85 -0.18 -0.58 1.87 0.00 -1.05 -0.23 119.26 119.94 2jae h ALA 394 Ca 0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2jae h ALA 394 Cb 0.53 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jae h ALA 394 CO 0.03 -0.60 -0.04 0.93 0.00 0.00 0.00 179.25 179.57 2jae h GLU 395 N -0.19 1.05 -0.57 0.00 5.08 -1.25 -2.78 114.58 115.91 2jae h GLU 395 Ca -0.02 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2jae h GLU 395 Cb 0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2jae h GLU 395 CO 0.03 1.04 0.14 0.78 -1.00 0.00 0.00 179.01 180.00 2jae h GLY 396 N 0.98 0.95 2.00 -3.84 0.00 -0.94 -2.30 103.07 99.92 2jae h GLY 396 Ca 0.16 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 2jae h GLY 396 CO 0.04 0.52 -0.17 1.48 0.00 0.00 0.00 176.54 178.41 2jae h SER 397 N 0.85 0.00 1.01 0.19 4.64 -0.79 0.95 113.55 120.40 2jae h SER 397 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2jae h SER 397 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2jae h SER 397 CO -0.00 0.17 0.00 -0.33 -0.87 0.00 0.00 176.83 175.80 2jae h GLU 398 N 0.00 0.00 0.00 4.77 5.08 -1.15 -0.31 114.58 122.96 2jae h GLU 398 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 2jae h GLU 398 Cb 0.40 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2jae h GLU 398 CO 0.02 0.00 -2.32 -0.89 -1.00 0.00 0.00 179.01 174.82 2jae n ILE 399 N -2.52 1.31 0.22 3.13 5.41 -0.55 -4.74 119.36 121.62 2jae n ILE 399 Ca 0.02 -0.39 0.06 0.00 1.00 0.00 0.00 62.75 63.44 2jae n ILE 399 Cb 0.30 -1.63 0.09 0.00 -0.71 0.00 0.00 39.64 37.69 2jae n ILE 399 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2jae n HIS 400 N -3.74 0.18 -0.70 1.39 8.25 0.22 -4.76 115.22 116.05 2jae n HIS 400 Ca -0.45 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 2jae n HIS 400 Cb 0.87 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.97 2jae n HIS 400 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jae n GLY 401 N 0.59 -2.79 0.28 -1.41 0.00 -0.13 -4.44 105.19 97.30 2jae n GLY 401 Ca 0.09 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.49 2jae n GLY 401 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jae h GLU 402 N 0.00 0.00 -0.16 1.61 4.39 -1.95 -1.43 114.58 117.04 2jae h GLU 402 Ca 0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2jae h GLU 402 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2jae h GLU 402 CO 0.00 0.05 0.17 1.57 -1.16 0.00 0.00 179.01 179.64 2jae h LYS 403 N 0.00 0.00 0.00 2.33 2.10 -1.95 -1.03 116.57 118.02 2jae h LYS 403 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2jae h LYS 403 Cb 0.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2jae h LYS 403 CO 0.01 0.00 -0.04 -0.92 -2.00 0.00 0.00 179.45 176.50 2jae h TYR 404 N 0.00 0.00 -0.00 0.07 3.20 -1.47 -2.53 116.97 116.24 2jae h TYR 404 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2jae h TYR 404 Cb 0.42 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2jae h TYR 404 CO 0.00 0.04 -0.60 0.25 -1.64 0.00 0.00 178.16 176.21 2jae n THR 405 N -3.66 0.00 -4.13 1.81 -2.24 -0.39 -4.92 114.28 100.75 2jae n THR 405 Ca -0.03 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.50 2jae n THR 405 Cb 0.13 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.82 2jae n THR 405 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jae s ARG 406 N -2.91 2.86 -1.47 -0.78 0.52 -0.95 -4.63 118.95 111.58 2jae s ARG 406 Ca 0.12 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 2jae s ARG 406 Cb 0.17 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 33.11 2jae s ARG 406 CO 0.72 0.41 0.00 -0.25 0.02 0.00 0.00 175.30 176.19 2jae n ASP 407 N -1.04 -4.99 -4.68 0.23 8.00 -1.26 -4.91 116.55 107.90 2jae n ASP 407 Ca -0.08 0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.03 2jae n ASP 407 Cb 0.58 -4.08 -0.04 0.00 -0.02 0.00 0.00 41.12 37.55 2jae n ASP 407 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jae s ILE 408 N -2.83 4.92 -0.24 0.53 1.01 -1.26 -0.68 121.20 122.65 2jae s ILE 408 Ca 0.00 1.57 -0.17 0.00 0.00 0.00 0.00 60.65 62.05 2jae s ILE 408 Cb 0.00 -4.11 -0.16 0.00 0.01 0.00 0.00 42.46 38.20 2jae s ILE 408 CO 0.00 0.07 -0.06 -1.20 0.00 0.00 0.00 174.94 173.75 2jae n SER 409 N 4.99 1.92 -3.47 3.58 7.64 0.60 -4.92 113.62 123.96 2jae n SER 409 Ca 0.03 0.36 -0.05 0.00 1.01 0.00 0.00 58.87 60.22 2jae n SER 409 Cb 0.49 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 2jae n SER 409 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jae s SER 410 N -7.16 -0.09 0.21 6.43 1.04 -1.19 -5.01 113.70 107.94 2jae s SER 410 Ca -0.34 -0.68 -0.16 0.00 0.48 0.00 0.00 55.95 55.25 2jae s SER 410 Cb 0.10 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.85 2jae s SER 410 CO 0.55 -1.17 0.51 -0.94 0.98 0.00 0.00 173.24 173.16 2jae s SER 411 N -3.11 -0.19 -0.28 7.02 1.04 -1.26 -0.95 113.70 115.97 2jae s SER 411 Ca 0.16 -0.63 -0.17 0.00 0.48 0.00 0.00 55.95 55.79 2jae s SER 411 Cb -0.03 0.58 0.09 0.00 0.10 0.00 0.00 66.02 66.76 2jae s SER 411 CO 0.06 -1.08 0.75 0.12 0.98 0.00 0.00 173.24 174.07 2jae s PHE 412 N -3.92 -0.95 0.15 5.02 5.36 -0.53 -4.79 117.98 118.33 2jae s PHE 412 Ca 0.13 1.93 0.08 0.00 -0.96 0.00 0.00 56.93 58.11 2jae s PHE 412 Cb -0.01 0.56 -0.04 0.00 -0.34 0.00 0.00 43.02 43.19 2jae s PHE 412 CO 0.01 -0.47 -0.17 -1.54 -1.46 0.00 0.00 175.22 171.59 2jae s SER 413 N 1.48 2.48 0.02 6.13 1.04 -1.26 -0.99 113.70 122.59 2jae s SER 413 Ca -0.09 -0.85 0.03 0.00 0.48 0.00 0.00 55.95 55.53 2jae s SER 413 Cb -0.05 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 2jae s SER 413 CO -0.17 -0.07 -0.11 -0.83 0.98 0.00 0.00 173.24 173.04 2jae s GLY 414 N -2.61 0.59 -0.17 7.32 0.00 -0.34 -5.00 107.32 107.10 2jae s GLY 414 Ca 0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 44.72 44.22 2jae s GLY 414 CO 0.05 -0.60 -0.03 -0.45 0.00 0.00 0.00 173.10 172.08 2jae s SER 415 N -0.83 2.78 0.34 1.64 0.15 -1.26 -1.44 113.70 115.08 2jae s SER 415 Ca 0.00 -0.67 0.05 0.00 0.70 0.00 0.00 55.95 56.03 2jae s SER 415 Cb -0.06 -0.81 0.61 0.00 -1.71 0.00 0.00 66.02 64.05 2jae s SER 415 CO 0.00 -0.22 1.87 -0.50 1.20 0.00 0.00 173.24 175.60 2jae h TRP 416 N 8.16 0.52 0.00 3.44 4.06 -1.27 -1.03 115.95 129.84 2jae h TRP 416 Ca -0.21 -0.05 -0.03 0.00 2.06 0.00 0.00 58.89 60.65 2jae h TRP 416 Cb 1.11 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 29.12 2jae h TRP 416 CO 0.42 0.53 -0.13 -0.09 -3.56 0.00 0.00 178.44 175.60 2jae h ARG 417 N 0.48 0.00 -0.64 0.49 2.43 -1.79 -2.17 114.38 113.18 2jae h ARG 417 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2jae h ARG 417 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2jae h ARG 417 CO 0.01 0.13 0.00 0.54 -1.51 0.00 0.00 179.97 179.14 2jae n ARG 418 N -3.39 2.84 -3.88 0.20 5.12 -0.41 -4.34 116.66 112.81 2jae n ARG 418 Ca -0.01 -2.36 -0.36 0.00 -1.93 0.00 0.00 57.85 53.20 2jae n ARG 418 Cb 0.32 -1.63 -0.12 0.00 -1.16 0.00 0.00 32.46 29.87 2jae n ARG 418 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2jae s THR 419 N -1.43 4.39 0.27 0.55 2.01 -0.86 -0.83 115.64 119.73 2jae s THR 419 Ca 0.43 -0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.97 2jae s THR 419 Cb 0.25 -3.02 -0.13 0.00 0.01 0.00 0.00 72.50 69.61 2jae s THR 419 CO 0.26 0.38 1.48 1.17 -0.69 0.00 0.00 174.62 177.21 2jae n LYS 420 N 4.49 2.31 -0.94 4.92 4.81 -1.26 -0.79 118.16 131.70 2jae n LYS 420 Ca -0.16 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 2jae n LYS 420 Cb 0.52 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.04 2jae n LYS 420 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jae n TYR 421 N 1.91 0.00 0.03 5.64 4.01 -1.26 -4.75 117.16 122.74 2jae n TYR 421 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2jae n TYR 421 Cb 0.34 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2jae n TYR 421 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2jae n SER 422 N -0.08 0.45 -2.25 7.72 7.64 -0.74 -4.78 113.62 121.58 2jae n SER 422 Ca 0.00 0.08 -0.14 0.00 1.01 0.00 0.00 58.87 59.82 2jae n SER 422 Cb 0.04 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 2jae n SER 422 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jae n GLU 423 N -2.94 -1.98 0.00 1.43 1.02 0.03 -4.86 120.64 113.34 2jae n GLU 423 Ca 0.00 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 2jae n GLU 423 Cb 0.00 -5.25 0.00 0.00 -0.02 0.00 0.00 31.44 26.17 2jae n GLU 423 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jae n SER 424 N -1.62 0.00 0.09 1.62 2.88 -0.92 -4.58 113.62 111.08 2jae n SER 424 Ca -0.16 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.23 2jae n SER 424 Cb 0.59 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.92 2jae n SER 424 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jae h ALA 425 N 0.00 0.18 -1.26 -1.46 0.00 -1.27 -3.43 119.26 112.02 2jae h ALA 425 Ca 0.00 -0.96 0.30 0.00 0.00 0.00 0.00 54.91 54.25 2jae h ALA 425 Cb 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 17.79 17.69 2jae h ALA 425 CO 0.00 1.05 0.90 1.67 0.00 0.00 0.00 179.25 182.87 2jae s TRP 426 N -2.65 -0.06 0.18 0.00 -2.14 -1.26 -4.90 118.94 108.11 2jae s TRP 426 Ca -0.05 0.03 -0.22 0.00 2.66 0.00 0.00 56.10 58.52 2jae s TRP 426 Cb 0.07 0.51 -0.08 0.00 -3.10 0.00 0.00 33.47 30.87 2jae s TRP 426 CO 0.87 -0.12 0.74 0.00 -2.66 0.00 0.00 176.95 175.78 2jae s ALA 427 N -2.23 3.44 -0.31 2.67 0.00 -1.26 -2.53 121.76 121.55 2jae s ALA 427 Ca 0.11 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.36 2jae s ALA 427 Cb 0.00 -2.88 0.09 0.00 0.00 0.00 0.00 23.12 20.33 2jae s ALA 427 CO -0.04 0.31 0.00 1.21 0.00 0.00 0.00 175.76 177.25 2jae s ASN 428 N -1.36 4.57 0.19 0.00 3.04 0.20 -4.90 114.94 116.68 2jae s ASN 428 Ca 0.38 -1.85 -0.30 0.00 0.04 0.00 0.00 52.86 51.13 2jae s ASN 428 Cb -0.20 -1.53 -0.08 0.00 -1.54 0.00 0.00 41.25 37.90 2jae s ASN 428 CO 0.23 -0.32 1.28 0.26 -3.04 0.00 0.00 177.10 175.51 2jae s TRP 429 N 1.03 3.31 0.20 0.43 0.52 -1.26 -1.29 118.94 121.89 2jae s TRP 429 Ca 0.04 1.27 -0.32 0.00 0.02 0.00 0.00 56.10 57.11 2jae s TRP 429 Cb -0.19 -3.55 -0.13 0.00 -1.15 0.00 0.00 33.47 28.45 2jae s TRP 429 CO -0.08 -1.68 1.61 0.00 0.02 0.00 0.00 176.95 176.81 2jae n ALA 430 N 2.69 1.98 -0.14 0.98 0.00 -0.20 -4.93 120.51 120.90 2jae n ALA 430 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2jae n ALA 430 Cb 0.43 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2jae n ALA 430 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jae n GLY 431 N 3.28 2.03 1.84 0.00 0.00 -1.26 -4.94 105.19 106.13 2jae n GLY 431 Ca 0.15 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2jae n GLY 431 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jae n ALA 440 N 0.14 0.00 -1.73 4.61 0.00 -1.26 -5.08 120.51 117.19 2jae n ALA 440 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2jae n ALA 440 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2jae n ALA 440 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jae s THR 441 N 0.00 3.84 0.35 0.00 -4.23 -1.26 -4.85 115.64 109.49 2jae s THR 441 Ca 0.00 0.60 0.07 0.00 -1.18 0.00 0.00 61.69 61.18 2jae s THR 441 Cb 0.00 -3.47 0.31 0.00 1.34 0.00 0.00 72.50 70.68 2jae s THR 441 CO 0.00 -0.78 1.89 -0.65 -0.54 0.00 0.00 174.62 174.53 2jae h PRO 442 N -0.68 0.72 -0.18 3.99 0.11 -1.98 -1.31 132.00 132.66 2jae h PRO 442 Ca -0.45 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 2jae h PRO 442 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jae h PRO 442 CO 0.61 0.48 -0.51 0.93 -0.21 0.00 0.00 178.00 179.30 2jae h GLU 443 N 0.74 0.67 -0.10 1.05 3.07 -1.92 -0.35 114.58 117.74 2jae h GLU 443 Ca 0.42 -0.47 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2jae h GLU 443 Cb 0.59 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.56 2jae h GLU 443 CO -0.19 1.09 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.58 2jae h TYR 444 N 0.36 -0.04 -0.71 4.33 3.20 -1.82 -2.34 116.97 119.95 2jae h TYR 444 Ca -0.01 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2jae h TYR 444 Cb 1.12 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 2jae h TYR 444 CO 0.09 -0.03 0.40 1.49 -1.64 0.00 0.00 178.16 178.47 2jae h GLU 445 N 0.01 0.98 -0.83 1.82 4.81 -1.14 -2.31 114.58 117.92 2jae h GLU 445 Ca 0.05 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2jae h GLU 445 Cb 0.07 -0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.18 2jae h GLU 445 CO -0.09 0.72 0.50 -0.22 -0.73 0.00 0.00 179.01 179.19 2jae h LYS 446 N 0.98 0.86 0.00 1.92 1.63 -0.90 -2.47 116.57 118.59 2jae h LYS 446 Ca 0.25 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2jae h LYS 446 Cb 0.01 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 2jae h LYS 446 CO -0.04 0.57 0.00 1.28 -3.45 0.00 0.00 179.45 177.80 2jae n LEU 447 N -4.68 0.00 0.11 5.20 4.77 -0.88 -2.27 117.00 119.25 2jae n LEU 447 Ca 0.13 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.46 2jae n LEU 447 Cb 0.22 -0.22 0.41 0.00 -2.33 0.00 0.00 43.42 41.50 2jae n LEU 447 CO 0.29 -0.02 0.88 -0.07 -1.33 0.00 0.00 177.39 177.15 2jae h LEU 448 N 0.00 0.00 -9.83 2.23 3.38 -1.28 -3.41 115.31 106.41 2jae h LEU 448 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2jae h LEU 448 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2jae h LEU 448 CO 0.00 0.00 0.03 -1.61 0.09 0.00 0.00 178.44 176.95 2jae s GLU 449 N -3.14 4.16 0.63 1.13 0.41 -0.96 -4.95 118.70 115.97 2jae s GLU 449 Ca 0.10 0.73 -0.17 0.00 -0.41 0.00 0.00 54.97 55.22 2jae s GLU 449 Cb 0.12 -2.93 -0.02 0.00 -1.78 0.00 0.00 34.13 29.51 2jae s GLU 449 CO 0.57 0.45 1.16 -1.25 -0.49 0.00 0.00 175.26 175.70 2jae s PRO 450 N -1.88 2.85 -0.75 0.39 0.04 -1.26 -4.76 135.00 129.62 2jae s PRO 450 Ca 0.40 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 2jae s PRO 450 Cb -0.16 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.64 2jae s PRO 450 CO 0.20 -1.26 0.66 0.08 0.04 0.00 0.00 177.00 176.72 2jae s VAL 451 N -1.93 5.06 0.00 -0.36 1.01 0.52 -4.94 120.40 119.75 2jae s VAL 451 Ca 0.73 -2.53 0.00 0.00 0.00 0.00 0.00 61.98 60.17 2jae s VAL 451 Cb -0.26 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2jae s VAL 451 CO 0.36 -0.97 0.00 -0.67 0.00 0.00 0.00 175.10 173.82 2jae n ASP 452 N 3.93 0.00 -0.86 3.32 4.64 -1.26 -1.43 116.55 124.90 2jae n ASP 452 Ca 0.10 0.00 0.09 0.00 -1.38 0.00 0.00 54.79 53.60 2jae n ASP 452 Cb 0.44 0.00 0.16 0.00 -1.04 0.00 0.00 41.12 40.68 2jae n ASP 452 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2jae n LYS 453 N 0.00 2.13 -3.64 -0.67 5.02 -1.26 -4.92 118.16 114.82 2jae n LYS 453 Ca 0.00 -1.97 -0.37 0.00 -2.02 0.00 0.00 58.31 53.96 2jae n LYS 453 Cb 0.00 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 2jae n LYS 453 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jae s ILE 454 N -1.22 5.35 -0.10 -0.18 1.01 -0.51 -1.49 121.20 124.06 2jae s ILE 454 Ca 0.29 0.20 0.01 0.00 0.00 0.00 0.00 60.65 61.15 2jae s ILE 454 Cb 0.17 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2jae s ILE 454 CO 0.23 0.33 -0.13 -0.31 0.00 0.00 0.00 174.94 175.06 2jae s TYR 455 N 1.12 2.78 0.07 3.97 2.02 0.07 -0.36 117.35 127.02 2jae s TYR 455 Ca 0.08 -0.44 -0.15 0.00 -0.37 0.00 0.00 57.07 56.19 2jae s TYR 455 Cb -0.14 -1.76 -0.06 0.00 -0.40 0.00 0.00 41.96 39.60 2jae s TYR 455 CO 0.05 -0.05 0.48 -0.06 -1.57 0.00 0.00 175.55 174.40 2jae s PHE 456 N -0.08 3.68 0.02 2.71 0.08 -1.26 0.11 117.98 123.25 2jae s PHE 456 Ca -0.02 1.04 -0.11 0.00 0.12 0.00 0.00 56.93 57.96 2jae s PHE 456 Cb -0.14 -2.33 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 2jae s PHE 456 CO 0.04 0.55 0.22 0.00 -0.10 0.00 0.00 175.22 175.93 2jae s ALA 457 N -1.26 -0.48 0.00 5.36 0.00 -0.78 -4.89 121.76 119.71 2jae s ALA 457 Ca 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2jae s ALA 457 Cb -0.16 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2jae s ALA 457 CO 0.17 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2jae n GLY 458 N 0.92 1.84 0.27 0.00 0.00 -1.26 -4.04 105.19 102.91 2jae n GLY 458 Ca -0.20 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.61 2jae n GLY 458 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jae h ASP 459 N 0.00 0.00 0.50 1.61 2.03 -1.85 -1.67 116.42 117.04 2jae h ASP 459 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 2jae h ASP 459 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2jae h ASP 459 CO 0.00 0.10 -0.04 1.12 -1.03 0.00 0.00 179.24 179.39 2jae h HIS 460 N 0.00 0.00 -1.04 4.15 2.07 -1.92 -2.71 115.15 115.70 2jae h HIS 460 Ca -0.00 0.00 -0.68 0.00 -2.85 0.00 0.00 60.37 56.84 2jae h HIS 460 Cb 0.25 0.00 -0.30 0.00 2.57 0.00 0.00 27.41 29.93 2jae h HIS 460 CO 0.00 0.04 0.79 1.28 -3.07 0.00 0.00 177.93 176.97 2jae n LEU 461 N -3.25 7.55 -4.18 6.12 4.77 -0.63 -4.93 117.00 122.44 2jae n LEU 461 Ca -0.01 -4.35 -0.13 0.00 -0.03 0.00 0.00 56.01 51.49 2jae n LEU 461 Cb 0.21 -0.95 -0.09 0.00 -2.33 0.00 0.00 43.42 40.27 2jae n LEU 461 CO 0.26 1.52 -0.14 -0.94 -1.33 0.00 0.00 177.39 176.76 2jae s SER 462 N -1.89 0.41 -0.18 -1.43 1.04 -1.02 -4.84 113.70 105.79 2jae s SER 462 Ca 0.63 -1.40 0.11 0.00 0.48 0.00 0.00 55.95 55.78 2jae s SER 462 Cb 0.50 0.45 0.62 0.00 0.10 0.00 0.00 66.02 67.70 2jae s SER 462 CO -0.03 -0.94 1.45 0.59 0.98 0.00 0.00 173.24 175.28 2jae n ASN 463 N -0.56 4.58 -2.98 7.02 4.13 -1.26 -4.14 115.26 122.04 2jae n ASN 463 Ca 0.02 -2.70 -0.14 0.00 1.68 0.00 0.00 54.58 53.44 2jae n ASN 463 Cb 0.65 -0.64 -0.01 0.00 -1.54 0.00 0.00 39.78 38.24 2jae n ASN 463 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jae n ALA 464 N 0.48 2.54 -1.78 5.41 0.00 -1.26 -5.05 120.51 120.85 2jae n ALA 464 Ca 0.21 -3.29 -0.41 0.00 0.00 0.00 0.00 53.44 49.95 2jae n ALA 464 Cb 0.97 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 2jae n ALA 464 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jae s ILE 465 N -2.69 2.09 -0.77 0.00 1.01 -1.25 -1.86 121.20 117.73 2jae s ILE 465 Ca 0.35 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.09 2jae s ILE 465 Cb 0.39 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2jae s ILE 465 CO -0.03 0.02 0.00 0.00 0.00 0.00 0.00 174.94 174.93 2jae n ALA 466 N 1.06 -0.13 -2.64 9.38 0.00 -1.26 -5.03 120.51 121.88 2jae n ALA 466 Ca 0.03 0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 2jae n ALA 466 Cb 0.39 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 2jae n ALA 466 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2jae s TRP 467 N -2.30 1.02 0.36 0.00 0.52 -0.78 -5.03 118.94 112.74 2jae s TRP 467 Ca 0.00 -0.20 0.09 0.00 0.02 0.00 0.00 56.10 56.01 2jae s TRP 467 Cb 0.00 -0.66 0.82 0.00 -1.15 0.00 0.00 33.47 32.48 2jae s TRP 467 CO 0.00 -0.02 1.88 1.96 0.02 0.00 0.00 176.95 180.79 2jae h GLN 468 N 5.88 0.67 -0.92 4.98 4.20 -1.95 -0.00 115.11 127.97 2jae h GLN 468 Ca -0.32 -0.04 0.20 0.00 0.06 0.00 0.00 58.65 58.55 2jae h GLN 468 Cb 1.17 -0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.69 2jae h GLN 468 CO 0.49 0.44 0.48 1.25 -0.67 0.00 0.00 178.83 180.83 2jae h HIS 469 N 0.69 0.83 -0.41 2.96 2.76 -1.96 0.37 115.15 120.39 2jae h HIS 469 Ca 0.43 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.62 2jae h HIS 469 Cb 0.68 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 2jae h HIS 469 CO -0.00 0.09 0.20 0.78 -1.30 0.00 0.00 177.93 177.69 2jae h GLY 470 N 0.56 0.64 1.02 5.26 0.00 -1.06 -0.55 103.07 108.94 2jae h GLY 470 Ca 0.55 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 2jae h GLY 470 CO -0.45 0.30 0.09 0.00 0.00 0.00 0.00 176.54 176.48 2jae h ALA 471 N 1.05 0.76 -0.19 3.60 0.00 -1.18 -1.80 119.26 121.49 2jae h ALA 471 Ca 0.14 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 2jae h ALA 471 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jae h ALA 471 CO -0.02 0.51 -0.43 -0.07 0.00 0.00 0.00 179.25 179.24 2jae h LEU 472 N 0.84 0.71 -0.89 0.00 3.38 -0.87 -1.27 115.31 117.21 2jae h LEU 472 Ca 0.17 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 2jae h LEU 472 Cb 0.42 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2jae h LEU 472 CO 0.01 1.14 -0.20 0.71 0.09 0.00 0.00 178.44 180.19 2jae h THR 473 N 0.31 1.26 -0.11 0.22 1.35 -1.14 -1.39 112.91 113.41 2jae h THR 473 Ca 0.00 -1.22 -0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2jae h THR 473 Cb 1.03 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2jae h THR 473 CO 0.09 0.40 0.05 -1.28 -0.25 0.00 0.00 175.52 174.54 2jae h SER 474 N 0.54 0.14 -0.48 5.36 0.87 -1.21 -1.46 113.55 117.29 2jae h SER 474 Ca 0.08 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2jae h SER 474 Cb 0.64 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.50 2jae h SER 474 CO 0.05 0.21 0.11 0.00 -0.53 0.00 0.00 176.83 176.67 2jae h ALA 475 N 0.93 0.55 -0.64 6.23 0.00 -1.05 -1.35 119.26 123.93 2jae h ALA 475 Ca 0.04 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2jae h ALA 475 Cb 0.11 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2jae h ALA 475 CO -0.00 -0.29 0.14 0.00 0.00 0.00 0.00 179.25 179.09 2jae h ARG 476 N 0.26 1.03 -0.40 0.00 3.08 -1.05 -0.50 114.38 116.80 2jae h ARG 476 Ca 0.24 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2jae h ARG 476 Cb 0.30 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2jae h ARG 476 CO -0.30 0.92 0.10 -0.44 -1.07 0.00 0.00 179.97 179.19 2jae h ASP 477 N 0.97 0.61 -0.51 7.04 3.45 -0.85 -1.68 116.42 125.46 2jae h ASP 477 Ca 0.20 -0.23 -0.09 0.00 0.43 0.00 0.00 57.03 57.35 2jae h ASP 477 Cb 0.37 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 2jae h ASP 477 CO 0.00 0.68 -0.02 0.58 -1.57 0.00 0.00 179.24 178.91 2jae h VAL 478 N 0.51 1.27 -0.72 -1.35 2.07 -0.96 -0.90 116.25 116.17 2jae h VAL 478 Ca 0.13 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 2jae h VAL 478 Cb 0.31 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2jae h VAL 478 CO 0.00 0.40 0.45 0.58 0.02 0.00 0.00 177.57 179.01 2jae h VAL 479 N 0.78 1.20 -0.70 2.57 2.07 -1.06 -0.77 116.25 120.35 2jae h VAL 479 Ca 0.14 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2jae h VAL 479 Cb 0.56 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2jae h VAL 479 CO 0.03 0.21 0.45 0.74 0.02 0.00 0.00 177.57 179.02 2jae h THR 480 N 0.98 1.15 -0.53 2.57 2.02 -0.98 -0.97 112.91 117.15 2jae h THR 480 Ca 0.26 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 2jae h THR 480 Cb -0.05 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 2jae h THR 480 CO -0.05 0.17 0.08 0.45 0.37 0.00 0.00 175.52 176.53 2jae h HIS 481 N 0.91 0.94 -0.47 3.16 3.86 -0.55 -1.38 115.15 121.61 2jae h HIS 481 Ca 0.26 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2jae h HIS 481 Cb -0.06 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 2jae h HIS 481 CO -0.03 0.84 0.30 0.82 0.86 0.00 0.00 177.93 180.72 2jae h ILE 482 N 0.76 1.14 -0.70 2.45 2.04 -0.93 -1.74 117.51 120.53 2jae h ILE 482 Ca 0.16 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2jae h ILE 482 Cb 0.42 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2jae h ILE 482 CO 0.01 0.13 0.32 -0.74 0.00 0.00 0.00 178.15 177.88 2jae h HIS 483 N 0.63 1.02 -0.61 1.37 2.76 -0.91 -0.43 115.15 118.99 2jae h HIS 483 Ca 0.17 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 2jae h HIS 483 Cb -0.04 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.58 2jae h HIS 483 CO -0.04 0.77 0.07 0.93 -1.30 0.00 0.00 177.93 178.36 2jae h GLU 484 N 0.98 1.01 -0.35 5.26 5.08 -1.12 -1.23 114.58 124.20 2jae h GLU 484 Ca 0.24 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2jae h GLU 484 Cb 0.14 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2jae h GLU 484 CO -0.03 0.94 0.10 -0.09 -1.00 0.00 0.00 179.01 178.93 2jae h ARG 485 N 0.94 0.56 -0.96 2.33 2.43 -0.79 -2.18 114.38 116.71 2jae h ARG 485 Ca 0.19 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2jae h ARG 485 Cb 0.44 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 2jae h ARG 485 CO 0.01 0.60 0.63 0.28 -1.51 0.00 0.00 179.97 179.98 2jae h VAL 486 N 0.42 1.25 -0.42 0.20 2.07 -0.92 -2.28 116.25 116.57 2jae h VAL 486 Ca 0.11 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2jae h VAL 486 Cb 0.28 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2jae h VAL 486 CO -0.00 0.24 0.25 0.00 0.02 0.00 0.00 177.57 178.08 2jae h ALA 487 N 1.35 1.65 0.00 1.67 0.00 -0.94 -3.51 119.26 119.48 2jae h ALA 487 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jae h ALA 487 Cb -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2jae h ALA 487 CO -0.07 0.31 0.00 1.04 0.00 0.00 0.00 179.25 180.52