#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxj s GLU 2 N 0.00 2.58 0.65 3.17 0.41 -1.26 -5.01 118.70 119.24 3dxj s GLU 2 Ca 0.00 -1.14 -0.13 0.00 -0.41 0.00 0.00 54.97 53.28 3dxj s GLU 2 Cb 0.00 -2.96 -0.01 0.00 -1.78 0.00 0.00 34.13 29.38 3dxj s GLU 2 CO 0.00 -0.48 1.06 0.96 -0.49 0.00 0.00 175.26 176.31 3dxj s ILE 3 N 1.24 3.83 -0.07 -1.63 -4.36 -1.26 -3.08 121.20 115.87 3dxj s ILE 3 Ca -0.03 0.74 -0.02 0.00 -0.26 0.00 0.00 60.65 61.08 3dxj s ILE 3 Cb -0.18 -3.34 0.03 0.00 1.25 0.00 0.00 42.46 40.22 3dxj s ILE 3 CO -0.05 -0.64 0.02 -0.75 0.24 0.00 0.00 174.94 173.76 3dxj s LYS 4 N -4.51 0.44 0.73 0.37 2.36 -0.62 -4.93 119.74 113.58 3dxj s LYS 4 Ca 0.61 0.16 -0.12 0.00 -2.55 0.00 0.00 55.97 54.07 3dxj s LYS 4 Cb -0.15 -0.88 0.18 0.00 -1.05 0.00 0.00 37.83 35.92 3dxj s LYS 4 CO 0.46 -0.32 0.81 0.54 1.55 0.00 0.00 175.35 178.38 3dxj n ARG 5 N 5.18 -1.66 -3.57 4.03 5.12 -1.26 0.09 116.66 124.60 3dxj n ARG 5 Ca -0.06 -1.26 -0.08 0.00 -1.93 0.00 0.00 57.85 54.52 3dxj n ARG 5 Cb 0.50 -1.00 -0.02 0.00 -1.16 0.00 0.00 32.46 30.78 3dxj n ARG 5 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3dxj s PHE 6 N -2.62 -0.32 0.48 -1.55 0.40 -1.13 -4.67 117.98 108.57 3dxj s PHE 6 Ca 0.49 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.93 3dxj s PHE 6 Cb -0.03 0.58 0.00 0.00 0.51 0.00 0.00 43.02 44.08 3dxj s PHE 6 CO 0.36 -0.70 0.00 0.41 0.70 0.00 0.00 175.22 175.98 3dxj n GLY 7 N -0.33 -2.80 2.48 4.36 0.00 -1.26 -4.52 105.19 103.11 3dxj n GLY 7 Ca -0.09 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 3dxj n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dxj n ARG 8 N -4.14 0.40 -3.22 1.61 0.63 -1.26 -4.92 116.66 105.75 3dxj n ARG 8 Ca -0.05 -2.79 -0.26 0.00 -0.92 0.00 0.00 57.85 53.83 3dxj n ARG 8 Cb 0.62 -1.53 -0.06 0.00 0.45 0.00 0.00 32.46 31.93 3dxj n ARG 8 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3dxj n ILE 9 N 2.55 2.00 -0.45 5.15 5.41 -1.26 -5.06 119.36 127.70 3dxj n ILE 9 Ca 0.24 -5.14 -0.20 0.00 1.00 0.00 0.00 62.75 58.65 3dxj n ILE 9 Cb 0.52 -1.70 -0.04 0.00 -0.71 0.00 0.00 39.64 37.71 3dxj n ILE 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3dxj n ARG 10 N 0.51 0.00 -3.29 0.38 0.63 -1.26 -4.81 116.66 108.81 3dxj n ARG 10 Ca 0.29 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.76 3dxj n ARG 10 Cb 0.44 -0.50 -0.01 0.00 0.45 0.00 0.00 32.46 32.85 3dxj n ARG 10 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3dxj s GLU 11 N 1.77 4.03 0.12 -0.14 2.02 -1.26 -4.92 118.70 120.32 3dxj s GLU 11 Ca 0.39 -2.94 0.01 0.00 0.02 0.00 0.00 54.97 52.44 3dxj s GLU 11 Cb -0.50 -4.58 0.31 0.00 0.10 0.00 0.00 34.13 29.47 3dxj s GLU 11 CO 0.23 -1.31 0.63 1.33 0.02 0.00 0.00 175.26 176.15 3dxj n VAL 12 N 3.25 -0.17 -4.23 2.63 0.24 -1.26 -4.39 118.33 114.40 3dxj n VAL 12 Ca 0.22 0.88 -0.18 0.00 -2.04 0.00 0.00 64.34 63.22 3dxj n VAL 12 Cb 0.42 -1.29 -0.11 0.00 -1.47 0.00 0.00 33.84 31.39 3dxj n VAL 12 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3dxj s ILE 13 N -5.18 1.33 0.80 1.34 -0.00 -1.26 -5.15 121.20 113.07 3dxj s ILE 13 Ca -0.05 -1.64 -0.12 0.00 -0.00 0.00 0.00 60.65 58.84 3dxj s ILE 13 Cb 0.12 -1.46 0.07 0.00 -0.00 0.00 0.00 42.46 41.19 3dxj s ILE 13 CO 0.31 -0.36 1.16 -2.16 -0.00 0.00 0.00 174.94 173.89 3dxj s PRO 14 N -2.47 2.07 0.34 0.37 0.04 -1.26 -5.01 135.00 129.08 3dxj s PRO 14 Ca 0.07 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.03 3dxj s PRO 14 Cb -0.06 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 3dxj s PRO 14 CO 0.03 -1.54 1.43 -0.51 0.04 0.00 0.00 177.00 176.45 3dxj s LEU 15 N -5.58 4.37 0.93 -3.56 1.02 -1.26 -4.98 118.68 109.61 3dxj s LEU 15 Ca 0.61 2.87 -0.11 0.00 0.02 0.00 0.00 54.13 57.52 3dxj s LEU 15 Cb -0.11 -3.65 0.15 0.00 0.02 0.00 0.00 46.19 42.59 3dxj s LEU 15 CO 0.50 -0.74 1.09 -2.16 0.02 0.00 0.00 176.35 175.06 3dxj s PRO 16 N -1.63 0.98 0.32 1.29 0.04 -1.26 -4.90 135.00 129.84 3dxj s PRO 16 Ca 0.53 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 3dxj s PRO 16 Cb -0.44 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.22 3dxj s PRO 16 CO 0.56 -2.50 1.35 -2.30 0.04 0.00 0.00 177.00 174.15 3dxj n PRO 17 N -4.09 2.20 0.00 0.56 -0.02 -1.26 -4.95 135.00 127.43 3dxj n PRO 17 Ca 0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3dxj n PRO 17 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3dxj n PRO 17 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dxj n LEU 18 N 1.13 1.64 0.16 2.45 4.77 -1.26 -3.77 117.00 122.13 3dxj n LEU 18 Ca 0.06 0.26 0.02 0.00 -0.03 0.00 0.00 56.01 56.32 3dxj n LEU 18 Cb 0.35 -0.15 0.13 0.00 -2.33 0.00 0.00 43.42 41.42 3dxj n LEU 18 CO 0.63 -0.15 0.77 0.35 -1.33 0.00 0.00 177.39 177.65 3dxj n THR 19 N -0.95 0.21 -0.03 -5.08 -2.24 -1.26 -3.18 114.28 101.75 3dxj n THR 19 Ca 0.00 0.75 0.00 0.00 -2.27 0.00 0.00 64.05 62.53 3dxj n THR 19 Cb 0.00 -1.75 0.01 0.00 -2.10 0.00 0.00 70.33 66.49 3dxj n THR 19 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3dxj n GLU 20 N -1.86 -0.01 0.00 -0.78 2.13 -1.25 -0.83 120.64 118.05 3dxj n GLU 20 Ca -0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3dxj n GLU 20 Cb 0.60 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 32.13 3dxj n GLU 20 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3dxj n ILE 21 N -4.12 0.00 -0.05 6.31 -0.00 -1.19 -0.87 119.36 119.44 3dxj n ILE 21 Ca 0.01 0.94 -0.01 0.00 -0.00 0.00 0.00 62.75 63.68 3dxj n ILE 21 Cb 0.04 -1.66 -0.01 0.00 -0.00 0.00 0.00 39.64 38.01 3dxj n ILE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3dxj n GLN 22 N -0.68 -0.05 0.00 0.38 1.13 -0.01 -1.24 117.38 116.91 3dxj n GLN 22 Ca 0.00 0.89 0.00 0.00 -1.94 0.00 0.00 57.00 55.95 3dxj n GLN 22 Cb 0.00 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.02 3dxj n GLN 22 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3dxj n VAL 23 N -3.14 0.00 -0.27 5.09 0.24 -0.98 -2.49 118.33 116.79 3dxj n VAL 23 Ca 0.00 1.34 0.08 0.00 -2.04 0.00 0.00 64.34 63.72 3dxj n VAL 23 Cb 0.03 -1.94 0.22 0.00 -1.47 0.00 0.00 33.84 30.67 3dxj n VAL 23 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3dxj h GLU 24 N 0.00 0.28 -0.90 7.34 4.39 -0.87 0.23 114.58 125.04 3dxj h GLU 24 Ca 0.00 -0.02 0.25 0.00 0.34 0.00 0.00 59.36 59.93 3dxj h GLU 24 Cb 0.00 -0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 28.45 3dxj h GLU 24 CO 0.00 0.18 0.33 1.03 -1.16 0.00 0.00 179.01 179.40 3dxj h SER 25 N 0.29 0.17 0.02 1.42 0.87 -0.87 -0.53 113.55 114.92 3dxj h SER 25 Ca 0.46 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 61.20 3dxj h SER 25 Cb 0.82 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 3dxj h SER 25 CO -0.54 -0.11 -0.01 0.22 -0.53 0.00 0.00 176.83 175.86 3dxj h TYR 26 N 0.28 -0.03 -0.07 2.24 3.20 -0.31 -3.01 116.97 119.27 3dxj h TYR 26 Ca 0.58 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.46 3dxj h TYR 26 Cb 1.19 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 3dxj h TYR 26 CO -0.19 0.56 -0.15 -0.09 -1.64 0.00 0.00 178.16 176.65 3dxj h ARG 27 N -0.98 -0.13 0.00 1.82 2.43 -0.69 1.35 114.38 118.19 3dxj h ARG 27 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3dxj h ARG 27 Cb 0.59 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3dxj h ARG 27 CO 0.00 -0.09 0.31 0.54 -1.51 0.00 0.00 179.97 179.23 3dxj n ARG 28 N -3.37 0.05 -0.04 0.20 1.74 -0.25 -1.24 116.66 113.75 3dxj n ARG 28 Ca -0.01 0.43 -0.22 0.00 -0.77 0.00 0.00 57.85 57.28 3dxj n ARG 28 Cb 0.10 -1.96 -0.13 0.00 -1.02 0.00 0.00 32.46 29.45 3dxj n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxj n ALA 29 N -1.41 0.91 0.01 7.54 0.00 0.43 -4.22 120.51 123.77 3dxj n ALA 29 Ca -0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 53.44 52.63 3dxj n ALA 29 Cb 0.32 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 19.08 3dxj n ALA 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dxj h LEU 30 N -0.26 0.46 -2.22 0.00 3.38 0.84 -2.26 115.31 115.24 3dxj h LEU 30 Ca -0.43 -0.82 -0.20 0.00 0.09 0.00 0.00 57.88 56.53 3dxj h LEU 30 Cb 1.81 -0.14 0.13 0.00 0.09 0.00 0.00 40.66 42.55 3dxj h LEU 30 CO -0.03 1.22 -0.56 1.67 0.09 0.00 0.00 178.44 180.84 3dxj n GLN 31 N -4.25 -2.93 0.00 1.13 7.27 -0.99 -4.73 117.38 112.88 3dxj n GLN 31 Ca -0.11 0.59 0.00 0.00 0.07 0.00 0.00 57.00 57.55 3dxj n GLN 31 Cb 0.68 -4.61 0.00 0.00 2.41 0.00 0.00 30.24 28.71 3dxj n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3dxj n ALA 32 N -2.89 0.58 -0.16 1.69 0.00 -1.26 -4.54 120.51 113.92 3dxj n ALA 32 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3dxj n ALA 32 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3dxj n ALA 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dxj n ASP 33 N -0.88 0.00 0.06 0.00 -0.08 -1.26 -2.60 116.55 111.79 3dxj n ASP 33 Ca 0.00 0.02 -0.05 0.00 -1.51 0.00 0.00 54.79 53.25 3dxj n ASP 33 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 3dxj n ASP 33 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3dxj h VAL 34 N 0.00 1.27 -1.29 5.18 2.07 -2.02 -3.46 116.25 118.00 3dxj h VAL 34 Ca 0.00 -2.92 -0.66 0.00 0.82 0.00 0.00 66.70 63.95 3dxj h VAL 34 Cb 0.00 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3dxj h VAL 34 CO 0.00 0.72 1.39 -2.65 0.02 0.00 0.00 177.57 177.06 3dxj n PRO 35 N -3.22 1.27 -0.66 1.57 -0.02 -1.07 -4.86 135.00 128.01 3dxj n PRO 35 Ca -0.04 0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 3dxj n PRO 35 Cb 0.91 -2.57 0.07 0.00 -0.02 0.00 0.00 33.50 31.88 3dxj n PRO 35 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dxj n PRO 36 N 8.09 1.62 -2.97 0.52 -0.04 -1.26 -4.64 135.00 136.32 3dxj n PRO 36 Ca 0.38 -1.39 -0.17 0.00 -0.04 0.00 0.00 63.50 62.29 3dxj n PRO 36 Cb 0.26 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 3dxj n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dxj n GLU 37 N -0.02 -2.84 0.00 0.54 1.02 -1.26 -4.88 120.64 113.20 3dxj n GLU 37 Ca 0.27 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 3dxj n GLU 37 Cb 0.88 -5.06 0.00 0.00 -0.02 0.00 0.00 31.44 27.24 3dxj n GLU 37 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3dxj n LYS 38 N -3.24 0.00 -2.44 3.49 2.85 -1.26 -4.82 118.16 112.73 3dxj n LYS 38 Ca -0.05 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 56.98 3dxj n LYS 38 Cb 0.55 -0.11 0.01 0.00 -0.65 0.00 0.00 35.03 34.83 3dxj n LYS 38 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3dxj n ARG 39 N 0.00 3.08 -3.39 -1.58 0.63 -1.26 -5.02 116.66 109.12 3dxj n ARG 39 Ca 0.00 -4.24 -0.10 0.00 -0.92 0.00 0.00 57.85 52.59 3dxj n ARG 39 Cb 0.00 -2.09 -0.09 0.00 0.45 0.00 0.00 32.46 30.73 3dxj n ARG 39 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3dxj s GLU 40 N -3.50 0.33 0.03 -0.14 2.56 -1.26 -4.96 118.70 111.76 3dxj s GLU 40 Ca 0.45 0.55 0.23 0.00 0.00 0.00 0.00 54.97 56.20 3dxj s GLU 40 Cb 0.41 -0.46 0.04 0.00 2.00 0.00 0.00 34.13 36.11 3dxj s GLU 40 CO -0.11 -0.61 1.03 0.27 -0.56 0.00 0.00 175.26 175.28 3dxj n ASN 41 N 5.36 0.64 0.00 -1.70 2.04 -1.26 -4.66 115.26 115.68 3dxj n ASN 41 Ca -0.04 -0.33 0.00 0.00 -0.44 0.00 0.00 54.58 53.77 3dxj n ASN 41 Cb 0.50 0.81 0.00 0.00 -2.53 0.00 0.00 39.78 38.56 3dxj n ASN 41 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 3dxj n VAL 42 N -1.85 0.00 0.00 3.53 3.14 -1.26 0.25 118.33 122.14 3dxj n VAL 42 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3dxj n VAL 42 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.19 3dxj n VAL 42 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dxj n GLY 43 N -0.54 0.44 0.36 7.55 0.00 -1.26 -4.62 105.19 107.12 3dxj n GLY 43 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3dxj n GLY 43 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dxj h ILE 44 N 0.00 0.89 0.00 -0.61 2.04 -1.54 0.21 117.51 118.50 3dxj h ILE 44 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3dxj h ILE 44 Cb 0.00 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 35.94 3dxj h ILE 44 CO 0.00 0.17 0.00 -0.61 0.00 0.00 0.00 178.15 177.71 3dxj h GLN 45 N 0.94 0.00 0.13 2.37 4.15 -1.81 0.37 115.11 121.25 3dxj h GLN 45 Ca 0.50 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.61 3dxj h GLN 45 Cb 0.54 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 3dxj h GLN 45 CO -0.28 0.00 -1.54 0.00 -1.93 0.00 0.00 178.83 175.08 3dxj h ALA 46 N 2.01 0.25 0.00 3.38 0.00 0.66 -1.55 119.26 124.01 3dxj h ALA 46 Ca 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 54.91 53.78 3dxj h ALA 46 Cb 0.09 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dxj h ALA 46 CO 0.00 1.12 -0.11 0.00 0.00 0.00 0.00 179.25 180.25 3dxj h ALA 47 N 0.46 1.56 0.10 0.00 0.00 0.34 -2.89 119.26 118.84 3dxj h ALA 47 Ca -0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3dxj h ALA 47 Cb 2.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3dxj h ALA 47 CO 0.17 0.14 -0.05 0.74 0.00 0.00 0.00 179.25 180.25 3dxj h PHE 48 N 0.00 -0.13 0.00 0.00 0.05 -0.48 -3.02 116.94 113.36 3dxj h PHE 48 Ca -0.00 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3dxj h PHE 48 Cb 0.24 0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.23 3dxj h PHE 48 CO 0.00 0.02 0.00 0.54 -0.18 0.00 0.00 178.31 178.69 3dxj n ARG 49 N -4.86 0.00 0.00 1.51 1.74 -0.59 -1.89 116.66 112.58 3dxj n ARG 49 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3dxj n ARG 49 Cb 0.10 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3dxj n ARG 49 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3dxj n GLU 50 N 0.43 0.00 0.00 5.56 0.28 -1.17 -4.63 120.64 121.11 3dxj n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3dxj n GLU 50 Cb 0.00 -0.33 0.00 0.00 1.43 0.00 0.00 31.44 32.54 3dxj n GLU 50 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3dxj n THR 51 N -2.54 0.00 -4.04 3.84 -1.04 -0.79 -4.47 114.28 105.24 3dxj n THR 51 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3dxj n THR 51 Cb 0.22 -0.27 -0.08 0.00 -1.82 0.00 0.00 70.33 68.38 3dxj n THR 51 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3dxj s PHE 52 N -1.96 0.61 -0.45 -1.42 0.40 -1.04 -4.28 117.98 109.84 3dxj s PHE 52 Ca 0.00 -0.95 -0.26 0.00 -0.60 0.00 0.00 56.93 55.12 3dxj s PHE 52 Cb 0.00 -0.19 0.03 0.00 0.51 0.00 0.00 43.02 43.37 3dxj s PHE 52 CO 0.00 -0.71 0.96 -1.25 0.70 0.00 0.00 175.22 174.92 3dxj s PRO 53 N -4.02 3.62 0.06 0.24 0.04 -1.26 -4.77 135.00 128.91 3dxj s PRO 53 Ca 0.23 0.30 -0.31 0.00 0.04 0.00 0.00 61.00 61.26 3dxj s PRO 53 Cb 0.04 -3.90 -0.08 0.00 0.04 0.00 0.00 34.50 30.60 3dxj s PRO 53 CO 0.04 -1.20 1.63 -1.50 0.04 0.00 0.00 177.00 176.01 3dxj s ILE 54 N 3.81 3.10 0.12 0.56 2.07 -1.09 -4.97 121.20 124.81 3dxj s ILE 54 Ca 0.39 0.55 0.10 0.00 -1.41 0.00 0.00 60.65 60.28 3dxj s ILE 54 Cb -0.10 -3.35 -0.04 0.00 0.13 0.00 0.00 42.46 39.10 3dxj s ILE 54 CO 0.26 -0.00 -0.25 -0.70 -1.91 0.00 0.00 174.94 172.34 3dxj s GLU 55 N 2.60 1.30 -0.38 3.50 2.12 -1.26 -3.57 118.70 123.02 3dxj s GLU 55 Ca 0.73 -1.29 0.12 0.00 0.36 0.00 0.00 54.97 54.89 3dxj s GLU 55 Cb -0.39 -1.70 0.39 0.00 0.26 0.00 0.00 34.13 32.69 3dxj s GLU 55 CO 0.32 0.40 1.05 0.39 -0.54 0.00 0.00 175.26 176.87 3dxj n GLU 56 N 0.95 1.10 -3.55 4.30 1.02 -1.23 -5.11 120.64 118.12 3dxj n GLU 56 Ca -0.18 -2.65 -0.41 0.00 -0.02 0.00 0.00 57.16 53.90 3dxj n GLU 56 Cb 0.53 -0.97 -0.11 0.00 -0.02 0.00 0.00 31.44 30.87 3dxj n GLU 56 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3dxj s GLU 57 N -1.45 3.16 0.30 3.49 2.12 -1.26 -4.77 118.70 120.29 3dxj s GLU 57 Ca 0.28 -0.87 0.06 0.00 0.36 0.00 0.00 54.97 54.80 3dxj s GLU 57 Cb 0.39 -3.79 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 3dxj s GLU 57 CO -0.04 -0.58 0.41 -0.51 -0.54 0.00 0.00 175.26 174.00 3dxj s ASP 58 N 1.65 6.02 0.00 -1.70 1.01 -1.26 -5.00 116.67 117.39 3dxj s ASP 58 Ca 0.05 -0.13 0.27 0.00 0.71 0.00 0.00 52.55 53.45 3dxj s ASP 58 Cb -0.18 -1.43 0.93 0.00 1.01 0.00 0.00 42.92 43.25 3dxj s ASP 58 CO 0.09 -0.29 1.67 0.29 0.21 0.00 0.00 175.17 177.14 3dxj n LYS 59 N -1.53 1.36 0.09 8.23 4.01 -1.26 -2.18 118.16 126.88 3dxj n LYS 59 Ca -0.03 -0.80 -0.22 0.00 -0.51 0.00 0.00 58.31 56.75 3dxj n LYS 59 Cb 0.58 -1.48 -0.12 0.00 -0.51 0.00 0.00 35.03 33.49 3dxj n LYS 59 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 3dxj h GLY 60 N 4.88 0.70 1.45 0.72 0.00 -2.01 -3.14 103.07 105.66 3dxj h GLY 60 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 47.33 45.84 3dxj h GLY 60 CO 0.00 1.25 -0.77 0.50 0.00 0.00 0.00 176.54 177.52 3dxj h LYS 61 N 0.28 0.00 0.00 4.80 1.79 -1.98 -3.49 116.57 117.98 3dxj h LYS 61 Ca -0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 3dxj h LYS 61 Cb 1.89 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.54 3dxj h LYS 61 CO 0.23 0.20 0.00 0.41 -1.08 0.00 0.00 179.45 179.21 3dxj n GLY 62 N 1.23 1.23 3.57 3.86 0.00 -0.93 -3.88 105.19 110.28 3dxj n GLY 62 Ca -0.01 0.40 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 3dxj n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dxj s GLY 63 N 0.00 0.31 -0.42 -0.02 0.00 -1.26 -4.56 107.32 101.36 3dxj s GLY 63 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 44.72 44.70 3dxj s GLY 63 CO 0.00 3.53 0.62 -0.10 0.00 0.00 0.00 173.10 177.15 3dxj n LEU 64 N 12.42 0.94 -4.89 0.66 7.94 -1.25 -2.06 117.00 130.76 3dxj n LEU 64 Ca 0.25 -4.90 -0.29 0.00 -1.11 0.00 0.00 56.01 49.96 3dxj n LEU 64 Cb 0.50 0.46 -0.01 0.00 0.53 0.00 0.00 43.42 44.91 3dxj n LEU 64 CO 0.70 2.14 0.51 -0.69 -1.11 0.00 0.00 177.39 178.93 3dxj s VAL 65 N -1.81 4.84 -0.33 1.96 1.01 -1.22 -3.47 120.40 121.38 3dxj s VAL 65 Ca 0.38 0.44 -0.08 0.00 0.00 0.00 0.00 61.98 62.71 3dxj s VAL 65 Cb 0.22 -3.84 0.20 0.00 0.00 0.00 0.00 36.38 32.96 3dxj s VAL 65 CO -0.09 -0.85 1.09 -0.22 0.00 0.00 0.00 175.10 175.03 3dxj s LEU 66 N -4.65 -0.25 0.03 3.92 2.96 -1.08 -3.33 118.68 116.27 3dxj s LEU 66 Ca 0.50 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.26 3dxj s LEU 66 Cb -0.10 0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.89 3dxj s LEU 66 CO 0.44 -0.02 -0.23 -0.62 -1.32 0.00 0.00 176.35 174.60 3dxj s ASP 67 N 1.38 2.73 0.91 3.68 3.68 -0.57 -2.68 116.67 125.80 3dxj s ASP 67 Ca 0.20 -0.51 -0.11 0.00 2.13 0.00 0.00 52.55 54.26 3dxj s ASP 67 Cb 0.09 -0.26 0.11 0.00 -1.45 0.00 0.00 42.92 41.42 3dxj s ASP 67 CO -0.13 0.22 0.98 0.33 0.13 0.00 0.00 175.17 176.71 3dxj n PHE 68 N 2.03 0.36 0.12 -5.34 7.35 -1.26 -2.55 117.46 118.16 3dxj n PHE 68 Ca -0.17 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 3dxj n PHE 68 Cb 0.53 -1.96 0.00 0.00 0.35 0.00 0.00 39.48 38.39 3dxj n PHE 68 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3dxj n LEU 69 N -3.43 -0.03 -3.66 -2.13 0.00 0.22 -4.87 117.00 103.09 3dxj n LEU 69 Ca 0.11 0.41 -0.08 0.00 0.00 0.00 0.00 56.01 56.45 3dxj n LEU 69 Cb 0.52 0.30 -0.08 0.00 0.00 0.00 0.00 43.42 44.16 3dxj n LEU 69 CO 0.49 -0.76 0.23 -1.61 0.00 0.00 0.00 177.39 175.74 3dxj s GLU 70 N -1.87 0.57 0.86 1.96 2.02 -1.01 -4.92 118.70 116.30 3dxj s GLU 70 Ca 0.00 1.10 -0.11 0.00 0.02 0.00 0.00 54.97 55.97 3dxj s GLU 70 Cb 0.00 0.17 0.10 0.00 0.10 0.00 0.00 34.13 34.50 3dxj s GLU 70 CO 0.00 -0.16 1.09 1.52 0.02 0.00 0.00 175.26 177.73 3dxj s TYR 71 N 1.74 2.52 -0.27 1.61 -0.00 -1.26 0.13 117.35 121.83 3dxj s TYR 71 Ca -0.09 1.21 -0.26 0.00 -0.00 0.00 0.00 57.07 57.93 3dxj s TYR 71 Cb -0.07 -3.15 0.13 0.00 -0.00 0.00 0.00 41.96 38.87 3dxj s TYR 71 CO -0.17 -2.15 1.08 0.50 -0.00 0.00 0.00 175.55 174.82 3dxj s ARG 72 N -5.03 0.45 -0.08 -3.49 3.52 0.54 -4.79 118.95 110.08 3dxj s ARG 72 Ca 0.62 0.46 -0.32 0.00 -0.13 0.00 0.00 55.73 56.36 3dxj s ARG 72 Cb -0.16 0.22 0.13 0.00 -1.56 0.00 0.00 34.95 33.58 3dxj s ARG 72 CO 0.56 -0.07 1.32 -0.48 -0.81 0.00 0.00 175.30 175.82 3dxj s LEU 73 N 0.00 -0.05 0.00 -0.88 0.05 -1.26 0.30 118.68 116.84 3dxj s LEU 73 Ca 0.03 -0.08 0.00 0.00 0.05 0.00 0.00 54.13 54.13 3dxj s LEU 73 Cb -0.04 1.28 0.00 0.00 -2.05 0.00 0.00 46.19 45.37 3dxj s LEU 73 CO -0.06 -0.21 0.00 0.61 -0.55 0.00 0.00 176.35 176.14 3dxj n GLY 74 N -0.41 0.00 3.34 -3.48 0.00 -1.26 -5.04 105.19 98.35 3dxj n GLY 74 Ca -0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 3dxj n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dxj s GLU 75 N 0.00 3.28 -0.66 1.61 2.12 -1.26 -4.98 118.70 118.80 3dxj s GLU 75 Ca 0.00 -1.92 -0.26 0.00 0.36 0.00 0.00 54.97 53.15 3dxj s GLU 75 Cb 0.00 -4.39 -0.02 0.00 0.26 0.00 0.00 34.13 29.98 3dxj s GLU 75 CO 0.00 -1.40 1.83 -2.14 -0.54 0.00 0.00 175.26 173.02 3dxj s PRO 76 N 1.38 2.66 0.21 4.30 0.02 -1.26 -4.20 135.00 138.10 3dxj s PRO 76 Ca 0.13 0.42 0.00 0.00 0.02 0.00 0.00 61.00 61.57 3dxj s PRO 76 Cb -0.19 -4.48 0.49 0.00 0.02 0.00 0.00 34.50 30.34 3dxj s PRO 76 CO -0.02 -2.78 1.08 -2.30 -0.33 0.00 0.00 177.00 172.65 3dxj n PRO 77 N 9.15 -0.06 -4.14 5.54 -0.02 -1.25 -4.45 135.00 139.78 3dxj n PRO 77 Ca 0.22 1.04 -0.14 0.00 -2.02 0.00 0.00 63.50 62.60 3dxj n PRO 77 Cb 0.51 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.25 3dxj n PRO 77 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3dxj s PHE 78 N -5.63 0.94 0.72 6.00 0.40 -1.26 -5.15 117.98 113.99 3dxj s PHE 78 Ca -0.09 -0.60 -0.11 0.00 -0.60 0.00 0.00 56.93 55.53 3dxj s PHE 78 Cb 0.20 -0.53 0.02 0.00 0.51 0.00 0.00 43.02 43.22 3dxj s PHE 78 CO 0.54 -0.03 1.07 -1.25 0.70 0.00 0.00 175.22 176.24 3dxj s PRO 79 N -2.32 2.75 0.00 0.24 0.04 -1.26 -4.72 135.00 129.73 3dxj s PRO 79 Ca -0.00 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3dxj s PRO 79 Cb -0.06 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3dxj s PRO 79 CO 0.00 -1.21 0.28 1.04 0.04 0.00 0.00 177.00 177.16 3dxj n GLN 80 N -3.19 0.00 -0.24 4.56 6.02 -1.26 -0.07 117.38 123.20 3dxj n GLN 80 Ca 0.07 0.19 0.27 0.00 -0.01 0.00 0.00 57.00 57.52 3dxj n GLN 80 Cb 0.54 -0.78 0.41 0.00 1.02 0.00 0.00 30.24 31.43 3dxj n GLN 80 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3dxj n ASP 81 N -0.47 0.00 -0.06 1.08 5.68 -1.26 0.12 116.55 121.63 3dxj n ASP 81 Ca 0.00 0.68 -0.19 0.00 -0.50 0.00 0.00 54.79 54.78 3dxj n ASP 81 Cb 0.00 -0.25 -0.13 0.00 -1.14 0.00 0.00 41.12 39.61 3dxj n ASP 81 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3dxj h GLU 82 N 0.00 0.06 -1.06 0.11 4.81 -1.78 -3.22 114.58 113.51 3dxj h GLU 82 Ca 0.47 -0.10 0.33 0.00 -0.13 0.00 0.00 59.36 59.93 3dxj h GLU 82 Cb 2.62 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 31.91 3dxj h GLU 82 CO -0.00 1.05 0.63 0.00 -0.73 0.00 0.00 179.01 179.96 3dxj h ARG 84 N 0.31 -0.27 -0.98 0.00 3.08 -1.55 0.37 114.38 115.33 3dxj h ARG 84 Ca 0.73 0.02 0.33 0.00 0.07 0.00 0.00 59.98 61.13 3dxj h ARG 84 Cb 1.79 0.06 -0.16 0.00 0.08 0.00 0.00 29.97 31.73 3dxj h ARG 84 CO -0.52 -0.02 0.43 0.93 -1.07 0.00 0.00 179.97 179.72 3dxj h GLU 85 N -0.48 0.15 -0.81 0.04 4.39 -0.34 -1.62 114.58 115.91 3dxj h GLU 85 Ca -0.03 -0.01 -0.55 0.00 0.34 0.00 0.00 59.36 59.12 3dxj h GLU 85 Cb 0.37 -0.03 -0.31 0.00 -0.10 0.00 0.00 28.75 28.67 3dxj h GLU 85 CO 0.05 0.10 0.11 1.63 -1.16 0.00 0.00 179.01 179.73 3dxj n LYS 86 N -5.21 2.86 -4.36 2.33 5.02 -1.10 -4.93 118.16 112.77 3dxj n LYS 86 Ca 0.31 -3.57 -0.34 0.00 -2.02 0.00 0.00 58.31 52.68 3dxj n LYS 86 Cb 1.01 -2.21 -0.09 0.00 -0.02 0.00 0.00 35.03 33.72 3dxj n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3dxj n ASP 87 N -0.89 -0.01 -5.03 4.39 8.00 -0.61 -4.76 116.55 117.64 3dxj n ASP 87 Ca 0.51 -1.25 -0.20 0.00 0.71 0.00 0.00 54.79 54.57 3dxj n ASP 87 Cb 0.89 -1.70 0.06 0.00 -0.02 0.00 0.00 41.12 40.34 3dxj n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dxj s LEU 88 N -7.33 3.10 -0.41 0.64 1.43 0.13 -3.31 118.68 112.94 3dxj s LEU 88 Ca 0.25 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3dxj s LEU 88 Cb -0.15 -1.65 0.12 0.00 0.03 0.00 0.00 46.19 44.54 3dxj s LEU 88 CO 1.00 -1.31 0.17 -0.89 0.23 0.00 0.00 176.35 175.55 3dxj s THR 89 N -2.66 1.80 -0.40 5.49 2.01 -1.25 0.35 115.64 120.99 3dxj s THR 89 Ca 0.60 -2.45 -0.42 0.00 0.31 0.00 0.00 61.69 59.73 3dxj s THR 89 Cb -0.06 -2.29 -0.17 0.00 0.01 0.00 0.00 72.50 69.99 3dxj s THR 89 CO 0.38 -0.75 1.92 0.00 -0.69 0.00 0.00 174.62 175.47 3dxj n TYR 90 N 3.89 1.66 -2.07 4.92 9.36 -0.71 -4.84 117.16 129.37 3dxj n TYR 90 Ca 0.04 0.67 0.00 0.00 3.32 0.00 0.00 57.90 61.93 3dxj n TYR 90 Cb 0.37 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.70 3dxj n TYR 90 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3dxj n GLN 91 N 6.28 0.00 -3.67 2.98 10.64 -1.26 -2.00 117.38 130.34 3dxj n GLN 91 Ca 0.38 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.41 3dxj n GLN 91 Cb 0.07 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.36 3dxj n GLN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3dxj s ALA 92 N -1.00 -1.41 0.95 2.61 0.00 -0.68 -3.89 121.76 118.34 3dxj s ALA 92 Ca 0.00 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 3dxj s ALA 92 Cb 0.00 -0.81 0.16 0.00 0.00 0.00 0.00 23.12 22.47 3dxj s ALA 92 CO 0.00 -0.28 1.10 -2.14 0.00 0.00 0.00 175.76 174.44 3dxj s PRO 93 N 0.10 0.81 -0.19 0.00 0.02 -1.26 -1.00 135.00 133.48 3dxj s PRO 93 Ca -0.02 1.17 -0.03 0.00 0.02 0.00 0.00 61.00 62.14 3dxj s PRO 93 Cb -0.04 -1.73 0.06 0.00 0.02 0.00 0.00 34.50 32.81 3dxj s PRO 93 CO 0.02 -2.65 0.04 -1.17 -0.33 0.00 0.00 177.00 172.90 3dxj s LEU 94 N -6.56 1.13 0.76 -5.54 2.96 0.80 -3.99 118.68 108.23 3dxj s LEU 94 Ca 0.66 -0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3dxj s LEU 94 Cb -0.21 -0.58 0.14 0.00 0.50 0.00 0.00 46.19 46.04 3dxj s LEU 94 CO 0.59 -0.30 1.04 -0.31 -1.32 0.00 0.00 176.35 176.05 3dxj s TYR 95 N 1.87 1.52 -0.28 5.38 1.51 0.88 -3.32 117.35 124.91 3dxj s TYR 95 Ca -0.01 -0.22 -0.18 0.00 -1.01 0.00 0.00 57.07 55.65 3dxj s TYR 95 Cb -0.17 -3.13 0.12 0.00 -0.11 0.00 0.00 41.96 38.67 3dxj s TYR 95 CO -0.08 -1.86 0.90 0.00 -1.11 0.00 0.00 175.55 173.40 3dxj s ALA 96 N -3.25 -2.09 -0.22 3.71 0.00 -1.20 -0.34 121.76 118.37 3dxj s ALA 96 Ca 0.68 2.19 -0.29 0.00 0.00 0.00 0.00 51.96 54.54 3dxj s ALA 96 Cb -0.05 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.52 3dxj s ALA 96 CO 0.46 -0.33 1.02 1.03 0.00 0.00 0.00 175.76 177.94 3dxj s ARG 97 N 1.15 4.27 0.00 0.00 0.52 0.35 -3.10 118.95 122.15 3dxj s ARG 97 Ca -0.06 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 56.48 3dxj s ARG 97 Cb -0.04 -3.63 0.00 0.00 0.52 0.00 0.00 34.95 31.80 3dxj s ARG 97 CO -0.14 -0.59 0.00 1.28 0.02 0.00 0.00 175.30 175.87 3dxj n LEU 98 N 6.16 0.00 -3.39 2.53 4.77 -1.25 0.69 117.00 126.51 3dxj n LEU 98 Ca 0.11 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.12 3dxj n LEU 98 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3dxj n LEU 98 CO 0.52 0.00 0.90 -1.58 -1.33 0.00 0.00 177.39 175.90 3dxj s GLN 99 N 1.35 0.08 -0.12 3.23 0.74 -1.06 -4.42 119.66 119.47 3dxj s GLN 99 Ca 0.00 0.18 -0.00 0.00 0.05 0.00 0.00 55.36 55.59 3dxj s GLN 99 Cb 0.00 0.08 0.02 0.00 1.10 0.00 0.00 33.01 34.21 3dxj s GLN 99 CO 0.00 -0.02 -0.09 -1.17 -0.55 0.00 0.00 175.29 173.46 3dxj s LEU 100 N 1.71 1.26 0.50 3.68 2.96 -1.09 -1.51 118.68 126.19 3dxj s LEU 100 Ca -0.03 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 3dxj s LEU 100 Cb -0.02 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.79 3dxj s LEU 100 CO -0.14 -0.11 0.27 -0.63 -1.32 0.00 0.00 176.35 174.42 3dxj s ILE 101 N 1.66 1.72 0.22 6.68 1.01 -1.21 -0.02 121.20 131.26 3dxj s ILE 101 Ca 0.05 -1.64 0.06 0.00 0.00 0.00 0.00 60.65 59.11 3dxj s ILE 101 Cb -0.13 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3dxj s ILE 101 CO -0.08 0.00 -0.07 -1.00 0.00 0.00 0.00 174.94 173.78 3dxj s HIS 102 N -2.75 1.63 0.49 3.97 3.76 -0.88 -3.38 115.29 118.13 3dxj s HIS 102 Ca 0.30 -0.74 0.18 0.00 -0.15 0.00 0.00 55.06 54.65 3dxj s HIS 102 Cb -0.00 -0.87 1.22 0.00 1.11 0.00 0.00 32.58 34.04 3dxj s HIS 102 CO 0.18 0.17 2.04 -0.22 -0.85 0.00 0.00 174.74 176.05 3dxj h LYS 103 N 2.51 0.15 -1.01 1.40 3.64 -1.52 0.25 116.57 121.98 3dxj h LYS 103 Ca -0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3dxj h LYS 103 Cb 1.22 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3dxj h LYS 103 CO 0.64 0.10 0.00 -0.40 -2.27 0.00 0.00 179.45 177.52 3dxj n ASP 104 N -4.46 2.73 -1.71 4.20 5.75 -1.26 -4.58 116.55 117.22 3dxj n ASP 104 Ca 0.06 -1.96 -0.11 0.00 -0.01 0.00 0.00 54.79 52.76 3dxj n ASP 104 Cb 0.36 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 3dxj n ASP 104 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3dxj n THR 105 N 0.45 -0.19 -2.53 2.12 -2.24 0.86 -4.86 114.28 107.90 3dxj n THR 105 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3dxj n THR 105 Cb 0.46 -1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 3dxj n THR 105 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dxj s GLY 106 N -1.99 1.24 -1.27 3.38 0.00 -1.21 -4.76 107.32 102.71 3dxj s GLY 106 Ca 0.00 -2.32 -0.19 0.00 0.00 0.00 0.00 44.72 42.21 3dxj s GLY 106 CO 0.00 2.75 1.75 1.08 0.00 0.00 0.00 173.10 178.68 3dxj s LEU 107 N 5.23 3.72 -1.12 0.66 1.43 -1.26 -2.07 118.68 125.27 3dxj s LEU 107 Ca 0.49 -2.29 -0.13 0.00 -1.03 0.00 0.00 54.13 51.17 3dxj s LEU 107 Cb 0.00 -2.58 0.20 0.00 0.03 0.00 0.00 46.19 43.85 3dxj s LEU 107 CO -0.06 -1.43 1.25 -0.63 0.23 0.00 0.00 176.35 175.71 3dxj s ILE 108 N 5.14 5.35 -0.94 -0.59 1.01 0.97 -4.92 121.20 127.23 3dxj s ILE 108 Ca 0.55 -2.76 -0.20 0.00 0.00 0.00 0.00 60.65 58.25 3dxj s ILE 108 Cb 0.03 -4.77 0.11 0.00 0.01 0.00 0.00 42.46 37.84 3dxj s ILE 108 CO 0.08 -1.43 1.20 -1.59 0.00 0.00 0.00 174.94 173.19 3dxj s LYS 109 N 0.71 3.57 -1.21 2.79 -2.85 -1.26 -2.68 119.74 118.81 3dxj s LYS 109 Ca 0.36 -1.55 -0.20 0.00 -1.00 0.00 0.00 55.97 53.58 3dxj s LYS 109 Cb -0.06 -4.98 0.04 0.00 -2.06 0.00 0.00 37.83 30.76 3dxj s LYS 109 CO -0.04 -1.88 1.72 -2.00 0.10 0.00 0.00 175.35 173.25 3dxj s GLU 110 N 3.32 3.62 0.00 1.78 2.12 -1.26 -4.82 118.70 123.45 3dxj s GLU 110 Ca 0.35 -1.62 0.00 0.00 0.36 0.00 0.00 54.97 54.07 3dxj s GLU 110 Cb -0.04 -5.44 0.00 0.00 0.26 0.00 0.00 34.13 28.91 3dxj s GLU 110 CO -0.09 -2.56 0.06 -0.25 -0.54 0.00 0.00 175.26 171.88 3dxj n ASP 111 N 9.66 0.06 -3.92 -1.70 8.00 -1.26 -3.90 116.55 123.49 3dxj n ASP 111 Ca 0.45 -0.17 -0.23 0.00 0.71 0.00 0.00 54.79 55.55 3dxj n ASP 111 Cb 0.47 -0.03 -0.17 0.00 -0.02 0.00 0.00 41.12 41.38 3dxj n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dxj s GLU 112 N -1.33 1.21 -0.46 -1.24 0.41 -1.18 -2.94 118.70 113.18 3dxj s GLU 112 Ca 0.00 -0.20 0.06 0.00 -0.41 0.00 0.00 54.97 54.42 3dxj s GLU 112 Cb 0.00 -1.19 0.19 0.00 -1.78 0.00 0.00 34.13 31.35 3dxj s GLU 112 CO 0.00 -0.12 0.72 0.14 -0.49 0.00 0.00 175.26 175.51 3dxj s VAL 113 N 1.16 -0.93 -0.42 2.63 -7.23 -1.22 -4.82 120.40 109.57 3dxj s VAL 113 Ca -0.06 -0.50 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 3dxj s VAL 113 Cb -0.14 0.00 0.45 0.00 0.56 0.00 0.00 36.38 37.25 3dxj s VAL 113 CO -0.01 0.00 1.39 2.22 -0.31 0.00 0.00 175.10 178.39 3dxj n PHE 114 N 3.58 1.53 -0.31 2.82 1.16 -1.21 -3.24 117.46 121.80 3dxj n PHE 114 Ca 0.14 -0.83 0.16 0.00 -1.87 0.00 0.00 57.45 55.05 3dxj n PHE 114 Cb 0.57 -0.50 0.34 0.00 -1.61 0.00 0.00 39.48 38.29 3dxj n PHE 114 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3dxj h LEU 115 N 1.77 0.09 -9.32 5.98 3.38 -1.95 -3.35 115.31 111.92 3dxj h LEU 115 Ca 0.17 0.20 -0.66 0.00 0.09 0.00 0.00 57.88 57.68 3dxj h LEU 115 Cb 1.73 0.25 -0.15 0.00 0.09 0.00 0.00 40.66 42.59 3dxj h LEU 115 CO 0.47 -0.17 -0.69 -0.83 0.09 0.00 0.00 178.44 177.30 3dxj s GLY 116 N -4.04 1.83 0.06 0.83 0.00 -1.26 -4.87 107.32 99.88 3dxj s GLY 116 Ca -0.12 -1.11 0.07 0.00 0.00 0.00 0.00 44.72 43.56 3dxj s GLY 116 CO 0.78 -1.05 -0.18 -2.38 0.00 0.00 0.00 173.10 170.27 3dxj s HIS 117 N -1.17 1.55 0.12 1.90 -3.43 -1.26 0.28 115.29 113.28 3dxj s HIS 117 Ca 0.21 -0.39 0.07 0.00 -0.80 0.00 0.00 55.06 54.15 3dxj s HIS 117 Cb -0.11 -0.89 -0.04 0.00 -1.43 0.00 0.00 32.58 30.11 3dxj s HIS 117 CO 0.13 0.10 -0.16 0.96 -2.00 0.00 0.00 174.74 173.78 3dxj s ILE 118 N -0.99 1.46 0.52 -5.38 -4.36 -0.17 -4.88 121.20 107.39 3dxj s ILE 118 Ca 0.04 -1.67 -0.22 0.00 -0.26 0.00 0.00 60.65 58.53 3dxj s ILE 118 Cb -0.09 -1.53 -0.06 0.00 1.25 0.00 0.00 42.46 42.02 3dxj s ILE 118 CO 0.02 -0.31 1.29 -2.65 0.24 0.00 0.00 174.94 173.53 3dxj n PRO 119 N 0.68 1.68 -4.24 0.37 -0.02 -1.26 -1.69 135.00 130.52 3dxj n PRO 119 Ca -0.16 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.63 3dxj n PRO 119 Cb 0.56 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 3dxj n PRO 119 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dxj s LEU 120 N -2.76 3.08 0.09 2.45 1.43 -0.85 -4.87 118.68 117.24 3dxj s LEU 120 Ca 0.69 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 53.24 3dxj s LEU 120 Cb -0.44 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 3dxj s LEU 120 CO 0.52 0.18 0.58 -0.32 0.23 0.00 0.00 176.35 177.54 3dxj s MET 121 N -2.17 4.20 1.02 1.70 -2.45 -1.26 -4.47 119.30 115.87 3dxj s MET 121 Ca 0.21 0.74 -0.12 0.00 -1.25 0.00 0.00 55.69 55.28 3dxj s MET 121 Cb -0.11 -3.20 0.20 0.00 1.25 0.00 0.00 34.83 32.97 3dxj s MET 121 CO 0.14 0.62 1.08 0.99 1.05 0.00 0.00 175.02 178.89 3dxj s THR 122 N -1.16 2.23 0.45 10.11 2.01 0.18 -4.87 115.64 124.60 3dxj s THR 122 Ca 0.30 0.08 0.22 0.00 0.31 0.00 0.00 61.69 62.60 3dxj s THR 122 Cb -0.19 -2.31 0.26 0.00 0.01 0.00 0.00 72.50 70.26 3dxj s THR 122 CO 0.19 -0.10 2.06 -0.08 -0.69 0.00 0.00 174.62 176.01 3dxj h GLU 123 N -2.08 0.00 0.18 4.92 4.81 -1.97 -2.55 114.58 117.90 3dxj h GLU 123 Ca -0.54 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.38 3dxj h GLU 123 Cb 1.31 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.70 3dxj h GLU 123 CO 0.51 0.13 -1.51 0.38 -0.73 0.00 0.00 179.01 177.79 3dxj h ASP 124 N 0.00 0.61 0.00 1.04 2.03 -1.95 -3.49 116.42 114.66 3dxj h ASP 124 Ca -0.00 -0.92 0.00 0.00 -0.73 0.00 0.00 57.03 55.38 3dxj h ASP 124 Cb 0.28 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 3dxj h ASP 124 CO 0.02 1.69 0.00 0.61 -1.03 0.00 0.00 179.24 180.53 3dxj n GLY 125 N 1.78 -0.21 4.03 7.15 0.00 -0.96 -4.86 105.19 112.12 3dxj n GLY 125 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 3dxj n GLY 125 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dxj s SER 126 N 0.00 4.78 0.28 1.61 1.04 -1.26 -4.66 113.70 115.48 3dxj s SER 126 Ca 0.00 -0.79 0.06 0.00 0.48 0.00 0.00 55.95 55.70 3dxj s SER 126 Cb 0.00 0.38 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 3dxj s SER 126 CO 0.00 -1.59 -0.05 -0.36 0.98 0.00 0.00 173.24 172.22 3dxj s PHE 127 N -2.85 1.94 -0.32 5.02 0.40 -0.08 0.47 117.98 122.56 3dxj s PHE 127 Ca 0.64 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 56.28 3dxj s PHE 127 Cb -0.05 -1.12 0.09 0.00 0.51 0.00 0.00 43.02 42.46 3dxj s PHE 127 CO 0.41 0.25 0.02 0.42 0.70 0.00 0.00 175.22 177.02 3dxj s ILE 128 N -3.04 2.06 -0.33 0.64 1.01 -1.23 -0.07 121.20 120.23 3dxj s ILE 128 Ca 0.30 -2.04 -0.04 0.00 0.00 0.00 0.00 60.65 58.87 3dxj s ILE 128 Cb 0.04 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 40.12 3dxj s ILE 128 CO 0.12 -0.47 0.06 -0.63 0.00 0.00 0.00 174.94 174.02 3dxj s ILE 129 N 1.05 3.35 -1.24 2.92 -1.09 0.21 -1.74 121.20 124.66 3dxj s ILE 129 Ca 0.06 -1.35 -0.04 0.00 -2.23 0.00 0.00 60.65 57.10 3dxj s ILE 129 Cb -0.19 -2.95 -0.01 0.00 -1.58 0.00 0.00 42.46 37.73 3dxj s ILE 129 CO -0.09 -0.20 0.77 0.59 -1.23 0.00 0.00 174.94 174.78 3dxj n ASN 130 N 4.70 -2.46 -0.61 3.58 3.02 0.35 -1.23 115.26 122.60 3dxj n ASN 130 Ca -0.12 -0.81 -0.08 0.00 -0.03 0.00 0.00 54.58 53.54 3dxj n ASN 130 Cb 0.44 -4.23 -0.03 0.00 -0.61 0.00 0.00 39.78 35.34 3dxj n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxj n GLY 131 N -1.50 0.97 3.35 7.41 0.00 1.09 -4.21 105.19 112.30 3dxj n GLY 131 Ca -0.24 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 3dxj n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj s ALA 132 N -2.20 2.39 -0.93 4.61 0.00 -0.37 -4.85 121.76 120.42 3dxj s ALA 132 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 3dxj s ALA 132 Cb 0.00 -0.86 0.11 0.00 0.00 0.00 0.00 23.12 22.37 3dxj s ALA 132 CO 0.00 0.42 1.19 -0.51 0.00 0.00 0.00 175.76 176.87 3dxj s ASP 133 N -0.23 6.56 0.43 0.00 1.01 -1.25 0.67 116.67 123.86 3dxj s ASP 133 Ca -0.01 -1.80 -0.02 0.00 0.71 0.00 0.00 52.55 51.43 3dxj s ASP 133 Cb -0.13 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3dxj s ASP 133 CO 0.03 -1.21 0.68 -0.60 0.21 0.00 0.00 175.17 174.28 3dxj s ARG 134 N 3.38 3.41 0.02 8.23 6.06 0.89 0.21 118.95 141.14 3dxj s ARG 134 Ca 0.35 -0.13 0.01 0.00 -2.50 0.00 0.00 55.73 53.46 3dxj s ARG 134 Cb -0.05 -2.51 -0.02 0.00 0.06 0.00 0.00 34.95 32.44 3dxj s ARG 134 CO -0.08 -0.11 -0.04 0.08 -2.50 0.00 0.00 175.30 172.65 3dxj s VAL 135 N -2.56 0.23 -0.32 7.11 1.01 0.21 -0.90 120.40 125.17 3dxj s VAL 135 Ca 0.45 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3dxj s VAL 135 Cb -0.10 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.03 3dxj s VAL 135 CO 0.40 -0.34 0.04 -0.63 0.00 0.00 0.00 175.10 174.57 3dxj s ILE 136 N -1.11 2.87 -0.32 2.22 -1.09 -1.26 -0.84 121.20 121.67 3dxj s ILE 136 Ca -0.11 -1.69 -0.27 0.00 -2.23 0.00 0.00 60.65 56.36 3dxj s ILE 136 Cb -0.08 -2.78 0.01 0.00 -1.58 0.00 0.00 42.46 38.03 3dxj s ILE 136 CO -0.00 -0.29 0.97 -0.69 -1.23 0.00 0.00 174.94 173.69 3dxj s VAL 137 N 1.16 4.62 0.21 2.92 1.01 -0.92 -4.70 120.40 124.69 3dxj s VAL 137 Ca -0.01 1.52 -0.32 0.00 0.00 0.00 0.00 61.98 63.18 3dxj s VAL 137 Cb -0.20 -4.32 -0.12 0.00 0.00 0.00 0.00 36.38 31.74 3dxj s VAL 137 CO -0.03 -0.40 1.68 -0.94 0.00 0.00 0.00 175.10 175.41 3dxj s SER 138 N 1.64 6.42 0.34 3.32 1.04 -1.26 -4.68 113.70 120.52 3dxj s SER 138 Ca 0.40 2.83 0.09 0.00 0.48 0.00 0.00 55.95 59.75 3dxj s SER 138 Cb -0.13 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.33 3dxj s SER 138 CO 0.14 -0.94 -0.01 0.00 0.98 0.00 0.00 173.24 173.42 3dxj s GLN 139 N 1.02 2.03 0.48 4.02 -2.07 -0.43 -2.13 119.66 122.59 3dxj s GLN 139 Ca 0.73 -1.78 0.07 0.00 -1.82 0.00 0.00 55.36 52.55 3dxj s GLN 139 Cb -0.48 -1.89 0.00 0.00 -1.09 0.00 0.00 33.01 29.55 3dxj s GLN 139 CO 0.33 0.13 0.36 0.96 -1.32 0.00 0.00 175.29 175.76 3dxj s ILE 140 N -2.54 2.09 0.00 3.63 -4.36 0.12 0.17 121.20 120.32 3dxj s ILE 140 Ca 0.34 -1.48 -0.28 0.00 -0.26 0.00 0.00 60.65 58.98 3dxj s ILE 140 Cb 0.00 -2.57 0.09 0.00 1.25 0.00 0.00 42.46 41.24 3dxj s ILE 140 CO 0.19 0.00 1.26 -1.38 0.24 0.00 0.00 174.94 175.25 3dxj s HIS 141 N -2.65 0.03 -0.44 1.37 -3.43 0.17 -4.69 115.29 105.64 3dxj s HIS 141 Ca 0.40 -0.17 -0.29 0.00 -0.80 0.00 0.00 55.06 54.20 3dxj s HIS 141 Cb -0.01 0.57 0.02 0.00 -1.43 0.00 0.00 32.58 31.73 3dxj s HIS 141 CO 0.24 -0.34 1.32 0.50 -2.00 0.00 0.00 174.74 174.45 3dxj s ARG 142 N -2.06 3.61 0.31 -0.38 3.52 -1.26 0.13 118.95 122.83 3dxj s ARG 142 Ca 0.28 0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 56.36 3dxj s ARG 142 Cb -0.00 -3.99 -0.12 0.00 -1.56 0.00 0.00 34.95 29.28 3dxj s ARG 142 CO -0.00 -1.52 1.54 -1.13 -0.81 0.00 0.00 175.30 173.38 3dxj n SER 143 N 8.51 3.68 -4.64 -2.12 3.41 -1.25 -4.80 113.62 116.42 3dxj n SER 143 Ca 0.15 1.17 -0.43 0.00 -0.26 0.00 0.00 58.87 59.50 3dxj n SER 143 Cb 0.48 -1.58 -0.03 0.00 -0.26 0.00 0.00 64.21 62.83 3dxj n SER 143 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3dxj s PRO 144 N -0.94 3.85 0.00 4.33 0.02 -1.26 -4.90 135.00 136.10 3dxj s PRO 144 Ca 0.61 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.74 3dxj s PRO 144 Cb -0.51 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 29.89 3dxj s PRO 144 CO 0.53 -1.25 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 3dxj n GLY 145 N 4.72 2.21 2.78 0.52 0.00 -1.09 -3.64 105.19 110.69 3dxj n GLY 145 Ca 0.21 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3dxj n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 146 N 0.55 0.57 0.33 1.61 1.01 -1.26 -0.43 120.40 122.78 3dxj s VAL 146 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3dxj s VAL 146 Cb 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 3dxj s VAL 146 CO 0.00 0.05 -0.02 -0.31 0.00 0.00 0.00 175.10 174.82 3dxj s TYR 147 N 1.86 2.13 -0.39 5.22 1.51 -0.21 -4.81 117.35 122.66 3dxj s TYR 147 Ca 0.02 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 3dxj s TYR 147 Cb -0.15 -1.33 0.14 0.00 -0.11 0.00 0.00 41.96 40.51 3dxj s TYR 147 CO -0.07 0.28 0.22 -0.06 -1.11 0.00 0.00 175.55 174.81 3dxj s PHE 148 N -2.97 1.26 0.36 2.71 0.40 -1.26 -1.08 117.98 117.39 3dxj s PHE 148 Ca 0.33 -1.96 -0.10 0.00 -0.60 0.00 0.00 56.93 54.60 3dxj s PHE 148 Cb 0.06 -1.33 -0.07 0.00 0.51 0.00 0.00 43.02 42.19 3dxj s PHE 148 CO 0.15 -0.81 0.71 -0.08 0.70 0.00 0.00 175.22 175.88 3dxj s THR 149 N 0.78 4.82 0.26 0.64 -1.32 -0.86 -2.28 115.64 117.69 3dxj s THR 149 Ca 0.18 0.57 -0.29 0.00 -1.21 0.00 0.00 61.69 60.93 3dxj s THR 149 Cb -0.24 -3.70 -0.09 0.00 -1.51 0.00 0.00 72.50 66.96 3dxj s THR 149 CO 0.00 -0.39 1.13 -2.84 -2.21 0.00 0.00 174.62 170.31 3dxj s PRO 150 N -3.56 4.60 -0.19 7.08 0.02 -1.26 -1.66 135.00 140.03 3dxj s PRO 150 Ca 0.50 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 63.07 3dxj s PRO 150 Cb -0.10 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 3dxj s PRO 150 CO 0.28 0.13 1.76 0.34 -0.33 0.00 0.00 177.00 179.18 3dxj s ASP 151 N -0.66 6.23 0.00 2.53 -1.08 -1.14 -4.69 116.67 117.85 3dxj s ASP 151 Ca 0.46 1.79 0.00 0.00 -0.52 0.00 0.00 52.55 54.28 3dxj s ASP 151 Cb -0.32 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.61 3dxj s ASP 151 CO 0.41 -1.36 0.15 -0.81 0.52 0.00 0.00 175.17 174.08 3dxj n PRO 152 N 7.84 0.00 -0.01 4.34 -0.04 -1.26 -4.08 135.00 141.79 3dxj n PRO 152 Ca 0.21 0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3dxj n PRO 152 Cb 0.45 -0.65 -0.00 0.00 -0.04 0.00 0.00 33.50 33.26 3dxj n PRO 152 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dxj n ALA 153 N -2.31 -0.02 -2.49 0.55 0.00 -1.26 -3.81 120.51 111.18 3dxj n ALA 153 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 3dxj n ALA 153 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 3dxj n ALA 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dxj s ARG 154 N -3.11 3.54 0.00 0.00 3.52 -1.26 -4.87 118.95 116.76 3dxj s ARG 154 Ca -0.00 0.54 0.13 0.00 -0.13 0.00 0.00 55.73 56.27 3dxj s ARG 154 Cb 0.00 -4.01 0.76 0.00 -1.56 0.00 0.00 34.95 30.14 3dxj s ARG 154 CO 0.02 -1.63 1.24 -2.30 -0.81 0.00 0.00 175.30 171.81 3dxj n PRO 155 N 8.24 0.64 0.05 5.12 -0.02 -1.25 -3.85 135.00 143.93 3dxj n PRO 155 Ca 0.12 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.54 3dxj n PRO 155 Cb 0.49 -1.31 -0.04 0.00 -0.02 0.00 0.00 33.50 32.61 3dxj n PRO 155 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dxj h GLY 156 N 3.42 -0.23 -1.14 -1.23 0.00 -1.89 -3.49 103.07 98.50 3dxj h GLY 156 Ca 0.00 0.09 -0.48 0.00 0.00 0.00 0.00 47.33 46.94 3dxj h GLY 156 CO 0.00 -0.08 -0.42 -2.13 0.00 0.00 0.00 176.54 173.91 3dxj n ARG 157 N -4.91 0.54 -4.46 4.80 3.00 -1.25 -5.09 116.66 109.29 3dxj n ARG 157 Ca -0.05 -3.06 -0.22 0.00 -0.00 0.00 0.00 57.85 54.52 3dxj n ARG 157 Cb 0.17 1.91 -0.10 0.00 0.00 0.00 0.00 32.46 34.44 3dxj n ARG 157 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 3dxj s TYR 158 N -3.01 2.05 0.01 -0.14 -0.85 -1.26 -2.90 117.35 111.26 3dxj s TYR 158 Ca 0.24 -0.72 0.02 0.00 -0.52 0.00 0.00 57.07 56.09 3dxj s TYR 158 Cb 0.01 -1.23 -0.04 0.00 0.38 0.00 0.00 41.96 41.08 3dxj s TYR 158 CO 0.17 0.28 -0.01 0.96 -1.52 0.00 0.00 175.55 175.43 3dxj s ILE 159 N -3.00 4.08 0.16 -3.49 -4.36 -0.66 -4.72 121.20 109.21 3dxj s ILE 159 Ca 0.32 -0.68 0.05 0.00 -0.26 0.00 0.00 60.65 60.07 3dxj s ILE 159 Cb 0.05 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 3dxj s ILE 159 CO 0.14 0.34 0.14 0.00 0.24 0.00 0.00 174.94 175.79 3dxj s ALA 160 N -1.11 3.59 0.21 2.27 0.00 -1.08 -2.03 121.76 123.61 3dxj s ALA 160 Ca 0.20 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.73 3dxj s ALA 160 Cb -0.11 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.66 3dxj s ALA 160 CO 0.11 0.51 0.70 -1.54 0.00 0.00 0.00 175.76 175.54 3dxj s SER 161 N -3.11 -0.38 0.04 0.00 1.04 -0.24 -0.73 113.70 110.33 3dxj s SER 161 Ca 0.31 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.42 3dxj s SER 161 Cb -0.10 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 3dxj s SER 161 CO 0.24 -1.14 -0.06 -0.63 0.98 0.00 0.00 173.24 172.63 3dxj s ILE 162 N -3.77 0.38 -0.15 -1.02 1.01 -1.18 -1.04 121.20 115.44 3dxj s ILE 162 Ca 0.07 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 3dxj s ILE 162 Cb -0.04 -0.55 0.05 0.00 0.01 0.00 0.00 42.46 41.94 3dxj s ILE 162 CO -0.02 -0.46 0.07 -0.63 0.00 0.00 0.00 174.94 173.90 3dxj s ILE 163 N -1.55 0.08 0.20 2.92 1.01 0.43 -2.60 121.20 121.67 3dxj s ILE 163 Ca -0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 3dxj s ILE 163 Cb -0.09 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.71 3dxj s ILE 163 CO -0.01 -0.15 0.46 -2.16 0.00 0.00 0.00 174.94 173.08 3dxj s PRO 164 N 2.07 3.68 0.18 2.79 0.04 -1.25 -2.66 135.00 139.85 3dxj s PRO 164 Ca 0.02 0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.13 3dxj s PRO 164 Cb -0.15 -2.75 0.05 0.00 0.04 0.00 0.00 34.50 31.69 3dxj s PRO 164 CO -0.08 0.38 1.42 1.25 0.04 0.00 0.00 177.00 180.01 3dxj h LEU 165 N 2.53 0.29 -8.56 -3.56 6.46 -1.69 -3.43 115.31 107.35 3dxj h LEU 165 Ca -0.47 -0.22 -0.56 0.00 -0.12 0.00 0.00 57.88 56.52 3dxj h LEU 165 Cb 1.17 -0.09 0.18 0.00 -0.73 0.00 0.00 40.66 41.20 3dxj h LEU 165 CO 0.70 0.98 -1.25 -2.65 -0.62 0.00 0.00 178.44 175.60 3dxj n PRO 166 N -3.73 0.00 0.21 5.25 -0.02 -1.26 -4.77 135.00 130.69 3dxj n PRO 166 Ca -0.04 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.51 3dxj n PRO 166 Cb 0.75 -0.95 0.48 0.00 -0.02 0.00 0.00 33.50 33.77 3dxj n PRO 166 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dxj h LYS 167 N -0.22 0.00 -0.02 -0.52 3.64 -1.98 -2.06 116.57 115.41 3dxj h LYS 167 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3dxj h LYS 167 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3dxj h LYS 167 CO 0.36 0.27 0.00 0.54 -2.27 0.00 0.00 179.45 178.34 3dxj n ARG 168 N -3.94 1.74 -1.81 1.90 5.12 -1.26 -5.04 116.66 113.36 3dxj n ARG 168 Ca -0.02 -2.38 -0.33 0.00 -1.93 0.00 0.00 57.85 53.19 3dxj n ARG 168 Cb 0.34 -1.42 0.04 0.00 -1.16 0.00 0.00 32.46 30.26 3dxj n ARG 168 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3dxj s GLY 169 N -2.43 2.06 1.00 -0.13 0.00 -0.78 -4.97 107.32 102.07 3dxj s GLY 169 Ca 0.26 0.42 -0.15 0.00 0.00 0.00 0.00 44.72 45.25 3dxj s GLY 169 CO 0.03 0.76 0.01 -1.05 0.00 0.00 0.00 173.10 172.85 3dxj n PRO 170 N -2.42 -1.72 -2.69 2.90 -0.02 -1.26 -4.86 135.00 124.94 3dxj n PRO 170 Ca 0.09 -0.50 -0.05 0.00 -2.02 0.00 0.00 63.50 61.02 3dxj n PRO 170 Cb 0.53 -1.44 0.06 0.00 -0.02 0.00 0.00 33.50 32.62 3dxj n PRO 170 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3dxj n TRP 171 N -4.22 -1.22 -1.08 6.00 -0.00 -1.26 -3.93 117.44 111.72 3dxj n TRP 171 Ca 0.03 -0.89 -0.30 0.00 -0.00 0.00 0.00 57.50 56.34 3dxj n TRP 171 Cb 0.44 1.19 0.14 0.00 -0.00 0.00 0.00 31.31 33.08 3dxj n TRP 171 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3dxj s ILE 172 N 0.47 2.66 -0.15 5.87 1.01 -1.07 -4.78 121.20 125.21 3dxj s ILE 172 Ca 0.27 0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.85 3dxj s ILE 172 Cb 0.18 -2.59 0.07 0.00 0.01 0.00 0.00 42.46 40.13 3dxj s ILE 172 CO -0.11 -0.28 0.71 -0.62 0.00 0.00 0.00 174.94 174.64 3dxj s ASP 173 N -3.23 -0.69 -0.00 3.58 -1.08 -0.74 -3.08 116.67 111.42 3dxj s ASP 173 Ca 0.64 1.03 -0.00 0.00 -0.52 0.00 0.00 52.55 53.69 3dxj s ASP 173 Cb -0.19 0.94 0.00 0.00 -1.46 0.00 0.00 42.92 42.21 3dxj s ASP 173 CO 0.58 -0.45 0.01 -0.76 0.52 0.00 0.00 175.17 175.07 3dxj s LEU 174 N -0.50 1.90 0.00 -1.34 1.43 0.10 -0.87 118.68 119.39 3dxj s LEU 174 Ca -0.06 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3dxj s LEU 174 Cb -0.02 0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.23 3dxj s LEU 174 CO 0.06 -0.01 0.23 1.21 0.23 0.00 0.00 176.35 178.07 3dxj n GLU 175 N 3.17 0.33 -3.60 1.70 2.13 0.18 -2.65 120.64 121.91 3dxj n GLU 175 Ca -0.13 -0.77 -0.10 0.00 0.66 0.00 0.00 57.16 56.81 3dxj n GLU 175 Cb 0.59 0.90 -0.03 0.00 0.27 0.00 0.00 31.44 33.17 3dxj n GLU 175 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3dxj s VAL 176 N -2.67 0.01 -0.44 6.31 -7.23 -1.26 0.52 120.40 115.63 3dxj s VAL 176 Ca 0.06 -0.43 0.05 0.00 -1.81 0.00 0.00 61.98 59.86 3dxj s VAL 176 Cb -0.01 -1.35 0.18 0.00 0.56 0.00 0.00 36.38 35.76 3dxj s VAL 176 CO 0.05 -0.05 0.47 1.21 -0.31 0.00 0.00 175.10 176.47 3dxj n GLU 177 N -0.38 0.32 0.05 4.82 2.13 -1.22 -4.96 120.64 121.40 3dxj n GLU 177 Ca -0.13 -2.81 0.00 0.00 0.66 0.00 0.00 57.16 54.89 3dxj n GLU 177 Cb 0.63 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.75 3dxj n GLU 177 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3dxj n PRO 178 N 2.79 0.00 -2.59 5.31 -0.02 -1.26 -3.14 135.00 136.10 3dxj n PRO 178 Ca 0.26 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.45 3dxj n PRO 178 Cb 0.51 -0.59 0.00 0.00 -0.02 0.00 0.00 33.50 33.41 3dxj n PRO 178 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3dxj n ASN 179 N -0.69 5.06 -0.61 2.55 4.05 -1.26 -2.67 115.26 121.69 3dxj n ASN 179 Ca 0.00 -3.02 -0.06 0.00 0.45 0.00 0.00 54.58 51.95 3dxj n ASN 179 Cb 0.20 -1.56 -0.02 0.00 1.23 0.00 0.00 39.78 39.64 3dxj n ASN 179 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3dxj n GLY 180 N 3.70 0.54 3.02 8.20 0.00 -1.16 -5.01 105.19 114.48 3dxj n GLY 180 Ca 0.40 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 3dxj n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 181 N -2.28 1.88 -0.76 1.61 1.01 -1.03 -4.82 120.40 116.01 3dxj s VAL 181 Ca 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.65 3dxj s VAL 181 Cb 0.00 -2.01 0.32 0.00 0.00 0.00 0.00 36.38 34.69 3dxj s VAL 181 CO 0.00 0.02 1.22 0.52 0.00 0.00 0.00 175.10 176.86 3dxj n VAL 182 N 4.56 4.06 -1.19 2.92 0.31 -1.20 -3.41 118.33 124.39 3dxj n VAL 182 Ca -0.14 -5.69 -0.19 0.00 -0.01 0.00 0.00 64.34 58.31 3dxj n VAL 182 Cb 0.44 -1.59 -0.18 0.00 -0.91 0.00 0.00 33.84 31.60 3dxj n VAL 182 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3dxj n SER 183 N 0.07 -1.04 -4.36 4.52 7.64 0.18 -1.27 113.62 119.36 3dxj n SER 183 Ca 0.35 -0.38 -0.46 0.00 1.01 0.00 0.00 58.87 59.39 3dxj n SER 183 Cb 0.35 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 3dxj n SER 183 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3dxj s MET 184 N 5.70 3.37 -0.30 1.43 1.75 -0.48 0.50 119.30 131.27 3dxj s MET 184 Ca 1.05 -1.94 -0.19 0.00 -1.25 0.00 0.00 55.69 53.36 3dxj s MET 184 Cb -0.70 -4.46 -0.01 0.00 2.84 0.00 0.00 34.83 32.49 3dxj s MET 184 CO 0.45 -1.45 0.58 0.15 -0.65 0.00 0.00 175.02 174.10 3dxj s LYS 185 N 1.47 3.89 0.00 4.11 1.02 -0.05 -3.28 119.74 126.90 3dxj s LYS 185 Ca 0.17 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.38 3dxj s LYS 185 Cb -0.16 -3.72 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 3dxj s LYS 185 CO -0.04 -0.53 0.00 1.55 -0.92 0.00 0.00 175.35 175.41 3dxj n VAL 186 N 5.35 0.00 0.04 3.17 3.14 -1.13 -1.80 118.33 127.10 3dxj n VAL 186 Ca -0.02 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.34 3dxj n VAL 186 Cb 0.49 -0.50 -0.01 0.00 -1.06 0.00 0.00 33.84 32.76 3dxj n VAL 186 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 3dxj h ASN 187 N 0.00 -0.10 0.00 6.55 2.35 -1.93 -3.46 115.58 118.98 3dxj h ASN 187 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dxj h ASN 187 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3dxj h ASN 187 CO 0.00 -0.03 0.00 0.29 -1.65 0.00 0.00 177.43 176.04 3dxj n LYS 188 N -2.57 0.00 -4.37 0.81 5.02 -1.26 -5.12 118.16 110.67 3dxj n LYS 188 Ca -0.02 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 3dxj n LYS 188 Cb 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.97 3dxj n LYS 188 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3dxj s ARG 189 N 0.00 2.02 0.00 1.97 1.70 -1.26 -5.10 118.95 118.28 3dxj s ARG 189 Ca 0.00 -1.68 0.00 0.00 -0.47 0.00 0.00 55.73 53.58 3dxj s ARG 189 Cb 0.00 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.44 3dxj s ARG 189 CO 0.00 0.24 0.00 0.36 -1.08 0.00 0.00 175.30 174.82 3dxj n LYS 190 N -0.85 1.18 0.00 3.89 2.85 -1.26 -2.86 118.16 121.12 3dxj n LYS 190 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 3dxj n LYS 190 Cb 0.61 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.99 3dxj n LYS 190 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 3dxj n PHE 191 N 0.00 0.00 -2.04 5.58 -1.74 -1.21 -4.91 117.46 113.14 3dxj n PHE 191 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 3dxj n PHE 191 Cb 0.00 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 40.97 3dxj n PHE 191 CO 0.00 0.00 0.00 -2.14 -0.56 0.00 0.00 176.76 174.06 3dxj s PRO 192 N -2.00 4.01 0.15 3.97 0.02 -1.26 -1.38 135.00 138.50 3dxj s PRO 192 Ca 0.00 1.98 -0.31 0.00 0.02 0.00 0.00 61.00 62.68 3dxj s PRO 192 Cb 0.00 -4.01 -0.08 0.00 0.02 0.00 0.00 34.50 30.43 3dxj s PRO 192 CO 0.00 -1.05 1.55 1.25 -0.33 0.00 0.00 177.00 178.42 3dxj h LEU 193 N 10.92 -2.00 -0.02 -5.54 5.85 -1.55 -1.49 115.31 121.48 3dxj h LEU 193 Ca -0.37 0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3dxj h LEU 193 Cb 1.17 0.86 -0.00 0.00 0.37 0.00 0.00 40.66 43.05 3dxj h LEU 193 CO 0.97 -0.32 0.00 0.52 -0.34 0.00 0.00 178.44 179.28 3dxj n VAL 194 N -5.32 -0.01 -0.33 1.05 0.31 -1.26 0.71 118.33 113.48 3dxj n VAL 194 Ca -0.00 0.04 0.01 0.00 -0.01 0.00 0.00 64.34 64.37 3dxj n VAL 194 Cb 0.30 -0.06 0.07 0.00 -0.91 0.00 0.00 33.84 33.25 3dxj n VAL 194 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dxj h LEU 195 N 0.00 -1.12 -0.61 7.52 3.38 -1.60 0.27 115.31 123.14 3dxj h LEU 195 Ca 0.01 0.28 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3dxj h LEU 195 Cb 0.02 0.64 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3dxj h LEU 195 CO -0.02 -0.30 0.08 -0.07 0.09 0.00 0.00 178.44 178.23 3dxj h LEU 196 N -0.03 0.99 -0.92 1.67 3.38 0.07 -3.05 115.31 117.42 3dxj h LEU 196 Ca 0.37 -0.27 0.26 0.00 0.09 0.00 0.00 57.88 58.33 3dxj h LEU 196 Cb 0.62 -0.26 -0.16 0.00 0.09 0.00 0.00 40.66 40.95 3dxj h LEU 196 CO -0.91 1.01 0.19 -0.07 0.09 0.00 0.00 178.44 178.75 3dxj h LEU 197 N 0.93 -0.14 -0.45 1.67 3.38 -0.52 0.74 115.31 120.94 3dxj h LEU 197 Ca 0.18 0.23 -0.18 0.00 0.09 0.00 0.00 57.88 58.21 3dxj h LEU 197 Cb 0.45 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3dxj h LEU 197 CO 0.02 -0.25 -0.68 -0.09 0.09 0.00 0.00 178.44 177.52 3dxj h ARG 198 N 0.11 0.43 -0.32 1.13 9.65 -1.05 -2.54 114.38 121.81 3dxj h ARG 198 Ca 0.60 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 3dxj h ARG 198 Cb 1.26 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.89 3dxj h ARG 198 CO -0.76 0.96 0.16 0.28 2.80 0.00 0.00 179.97 183.41 3dxj h VAL 199 N 0.31 1.11 0.00 0.20 2.07 0.43 0.27 116.25 120.63 3dxj h VAL 199 Ca -0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3dxj h VAL 199 Cb 1.24 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3dxj h VAL 199 CO 0.12 0.12 -0.03 -0.07 0.02 0.00 0.00 177.57 177.73 3dxj h LEU 200 N 0.44 0.00 0.00 2.57 3.38 -0.87 -3.42 115.31 117.42 3dxj h LEU 200 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dxj h LEU 200 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dxj h LEU 200 CO -0.02 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3dxj n GLY 201 N -0.73 1.77 2.79 0.83 0.00 0.93 -4.17 105.19 106.61 3dxj n GLY 201 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3dxj n GLY 201 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dxj s TYR 202 N -2.00 0.57 0.00 1.61 2.02 -0.97 -5.01 117.35 113.57 3dxj s TYR 202 Ca 0.00 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 3dxj s TYR 202 Cb 0.00 -0.69 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 3dxj s TYR 202 CO 0.00 -0.26 0.00 -0.40 -1.57 0.00 0.00 175.55 173.32 3dxj n ASP 203 N 4.83 0.00 -0.05 2.29 5.68 -1.26 -1.56 116.55 126.48 3dxj n ASP 203 Ca -0.13 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.02 3dxj n ASP 203 Cb 0.50 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.41 3dxj n ASP 203 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3dxj h GLN 204 N 0.00 0.43 0.00 0.11 4.20 -1.88 -3.18 115.11 114.79 3dxj h GLN 204 Ca 0.00 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3dxj h GLN 204 Cb 0.00 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3dxj h GLN 204 CO 0.00 0.89 0.00 -1.91 -0.67 0.00 0.00 178.83 177.14 3dxj n GLU 205 N -4.41 0.00 0.23 1.46 2.13 -1.26 0.22 120.64 119.00 3dxj n GLU 205 Ca -0.07 0.44 0.09 0.00 0.66 0.00 0.00 57.16 58.28 3dxj n GLU 205 Cb 0.46 -1.15 0.46 0.00 0.27 0.00 0.00 31.44 31.49 3dxj n GLU 205 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 3dxj h THR 206 N 0.00 0.00 0.00 6.31 1.35 -1.94 -2.88 112.91 115.74 3dxj h THR 206 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3dxj h THR 206 Cb 0.00 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 3dxj h THR 206 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3dxj n LEU 207 N -2.33 0.00 0.30 3.87 4.77 -0.62 -4.54 117.00 118.44 3dxj n LEU 207 Ca -0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.04 3dxj n LEU 207 Cb 0.41 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.79 3dxj n LEU 207 CO 0.08 0.00 1.06 0.00 -1.33 0.00 0.00 177.39 177.19 3dxj h ALA 208 N -0.85 1.86 0.00 -1.18 0.00 -0.40 0.16 119.26 118.84 3dxj h ALA 208 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dxj h ALA 208 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dxj h ALA 208 CO 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 179.25 178.27 3dxj h ARG 209 N 0.00 0.00 -0.86 0.00 -0.00 -1.11 -0.65 114.38 111.77 3dxj h ARG 209 Ca 0.03 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.49 3dxj h ARG 209 Cb 1.63 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.56 3dxj h ARG 209 CO -0.00 0.00 0.46 0.93 0.00 0.00 0.00 179.97 181.36 3dxj h GLU 210 N -0.61 1.21 0.00 0.04 5.08 -1.24 -2.64 114.58 116.43 3dxj h GLU 210 Ca 0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3dxj h GLU 210 Cb 0.15 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3dxj h GLU 210 CO 0.00 0.89 -0.00 1.25 -1.00 0.00 0.00 179.01 180.15 3dxj h LEU 211 N 1.21 -0.00 -0.37 1.33 5.85 -0.91 -3.26 115.31 119.15 3dxj h LEU 211 Ca 0.30 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3dxj h LEU 211 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3dxj h LEU 211 CO -0.05 0.82 0.00 0.61 -0.34 0.00 0.00 178.44 179.48 3dxj n GLY 212 N 1.65 0.00 0.00 3.75 0.00 -0.25 -2.73 105.19 107.61 3dxj n GLY 212 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3dxj n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj n ALA 213 N -0.12 0.00 0.33 4.61 0.00 -1.00 -0.49 120.51 123.83 3dxj n ALA 213 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 3dxj n ALA 213 Cb 0.00 0.00 1.12 0.00 0.00 0.00 0.00 19.45 20.57 3dxj n ALA 213 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3dxj h TYR 214 N 0.00 0.00 -1.44 0.00 -0.00 -1.82 0.37 116.97 114.08 3dxj h TYR 214 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 58.73 58.11 3dxj h TYR 214 Cb 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 36.73 36.52 3dxj h TYR 214 CO 0.00 0.00 0.72 0.41 -0.00 0.00 0.00 178.16 179.29 3dxj n GLY 215 N -1.15 4.85 0.28 0.10 0.00 -1.11 -4.63 105.19 103.53 3dxj n GLY 215 Ca -0.03 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 43.98 3dxj n GLY 215 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3dxj h GLU 216 N 3.08 0.00 -0.59 1.61 9.09 0.24 0.80 114.58 128.81 3dxj h GLU 216 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 3dxj h GLU 216 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3dxj h GLU 216 CO 1.11 0.00 0.00 1.28 0.05 0.00 0.00 179.01 181.45 3dxj n LEU 217 N -2.60 2.66 -0.59 3.06 4.77 -1.26 -4.37 117.00 118.66 3dxj n LEU 217 Ca -0.02 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 3dxj n LEU 217 Cb 0.41 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3dxj n LEU 217 CO 0.10 0.45 0.10 0.55 -1.33 0.00 0.00 177.39 177.27 3dxj n VAL 218 N 0.42 0.06 0.77 4.08 3.14 0.28 -2.48 118.33 124.60 3dxj n VAL 218 Ca 0.13 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.64 3dxj n VAL 218 Cb 0.52 -0.26 0.45 0.00 -1.06 0.00 0.00 33.84 33.48 3dxj n VAL 218 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dxj n GLN 219 N 0.42 0.16 -0.10 1.45 6.02 -1.26 -1.23 117.38 122.84 3dxj n GLN 219 Ca 0.00 0.12 0.08 0.00 -0.01 0.00 0.00 57.00 57.19 3dxj n GLN 219 Cb 0.10 -1.67 0.30 0.00 1.02 0.00 0.00 30.24 29.99 3dxj n GLN 219 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dxj n GLY 220 N 1.39 0.18 0.00 1.08 0.00 -1.04 -2.96 105.19 103.84 3dxj n GLY 220 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3dxj n GLY 220 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dxj n LEU 221 N 0.21 0.72 -4.51 0.99 0.00 -1.01 -2.47 117.00 110.93 3dxj n LEU 221 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.72 3dxj n LEU 221 Cb 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.64 3dxj n LEU 221 CO 0.10 0.12 0.70 -0.04 0.00 0.00 0.00 177.39 178.27 3dxj s MET 222 N -1.56 3.31 0.00 1.96 -1.94 -0.37 -4.67 119.30 116.03 3dxj s MET 222 Ca 0.00 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.65 3dxj s MET 222 Cb 0.00 -4.06 0.00 0.00 2.01 0.00 0.00 34.83 32.78 3dxj s MET 222 CO 0.00 -1.45 0.00 -0.25 -0.01 0.00 0.00 175.02 173.31 3dxj n ASP 223 N 7.30 0.00 -4.04 3.03 8.00 -1.26 -4.86 116.55 124.72 3dxj n ASP 223 Ca 0.01 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.11 3dxj n ASP 223 Cb 0.47 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.56 3dxj n ASP 223 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dxj n GLU 224 N -1.52 3.60 -0.33 -1.24 -0.58 -1.26 -4.84 120.64 114.47 3dxj n GLU 224 Ca 0.00 -4.53 -0.03 0.00 -0.42 0.00 0.00 57.16 52.18 3dxj n GLU 224 Cb 0.00 -2.47 0.09 0.00 -0.57 0.00 0.00 31.44 28.49 3dxj n GLU 224 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3dxj h SER 225 N 5.70 1.03 -0.70 1.62 4.64 -1.95 -1.05 113.55 122.85 3dxj h SER 225 Ca 0.19 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 3dxj h SER 225 Cb 0.73 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 3dxj h SER 225 CO 1.09 0.76 0.45 -0.37 -0.87 0.00 0.00 176.83 177.89 3dxj h VAL 226 N 1.21 1.13 0.00 0.95 -1.51 -2.03 0.33 116.25 116.34 3dxj h VAL 226 Ca 0.32 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 3dxj h VAL 226 Cb -0.11 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 29.20 3dxj h VAL 226 CO -0.07 0.16 0.00 0.49 -1.23 0.00 0.00 177.57 176.93 3dxj n PHE 227 N -4.64 0.00 -3.13 5.19 3.01 -0.44 -3.11 117.46 114.34 3dxj n PHE 227 Ca 0.07 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.30 3dxj n PHE 227 Cb 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.48 3dxj n PHE 227 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dxj n ALA 228 N -0.97 3.08 0.00 4.37 0.00 0.12 -4.62 120.51 122.48 3dxj n ALA 228 Ca 0.09 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.60 3dxj n ALA 228 Cb 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3dxj n ALA 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3dxj n MET 229 N 0.32 0.00 -3.58 0.00 2.81 -1.18 -4.01 117.12 111.48 3dxj n MET 229 Ca 0.27 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.89 3dxj n MET 229 Cb 0.54 -0.21 -0.10 0.00 -0.71 0.00 0.00 33.22 32.73 3dxj n MET 229 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3dxj n ARG 230 N -1.82 1.10 0.00 0.03 0.00 -1.26 -5.01 116.66 109.70 3dxj n ARG 230 Ca 0.00 -3.84 0.00 0.00 -0.00 0.00 0.00 57.85 54.01 3dxj n ARG 230 Cb 0.00 -1.93 0.00 0.00 -0.00 0.00 0.00 32.46 30.53 3dxj n ARG 230 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3dxj n PRO 231 N 2.19 0.00 -0.38 2.89 -0.02 -1.26 -0.12 135.00 138.29 3dxj n PRO 231 Ca 0.25 0.00 0.35 0.00 -2.02 0.00 0.00 63.50 62.08 3dxj n PRO 231 Cb 0.43 0.00 0.62 0.00 -0.02 0.00 0.00 33.50 34.52 3dxj n PRO 231 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dxj h GLU 232 N 0.00 0.03 0.32 -0.52 4.81 -1.94 0.20 114.58 117.48 3dxj h GLU 232 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3dxj h GLU 232 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3dxj h GLU 232 CO 0.00 0.02 -0.15 1.05 -0.73 0.00 0.00 179.01 179.20 3dxj h GLU 233 N 0.03 -0.41 -0.66 1.92 -0.00 -0.94 -1.83 114.58 112.69 3dxj h GLU 233 Ca 0.85 0.03 0.14 0.00 -0.00 0.00 0.00 59.36 60.38 3dxj h GLU 233 Cb 2.43 0.09 -0.11 0.00 -0.00 0.00 0.00 28.75 31.16 3dxj h GLU 233 CO -0.63 -0.28 -0.01 0.00 -0.00 0.00 0.00 179.01 178.10 3dxj h ALA 234 N -1.43 0.64 -0.65 1.06 0.00 -1.63 0.22 119.26 117.47 3dxj h ALA 234 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dxj h ALA 234 Cb 0.33 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3dxj h ALA 234 CO 0.07 -0.40 0.00 -0.11 0.00 0.00 0.00 179.25 178.81 3dxj n LEU 235 N -5.31 0.00 0.08 0.00 0.00 0.67 0.62 117.00 113.06 3dxj n LEU 235 Ca 0.10 0.72 -0.06 0.00 0.00 0.00 0.00 56.01 56.78 3dxj n LEU 235 Cb 0.39 -0.31 -0.03 0.00 0.00 0.00 0.00 43.42 43.47 3dxj n LEU 235 CO 0.08 -0.31 0.51 0.40 0.00 0.00 0.00 177.39 178.07 3dxj h ILE 236 N 0.00 0.00 -0.90 1.96 2.04 -0.29 -1.80 117.51 118.52 3dxj h ILE 236 Ca 0.00 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.21 3dxj h ILE 236 Cb 0.00 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 35.95 3dxj h ILE 236 CO 0.00 0.00 0.53 0.54 0.00 0.00 0.00 178.15 179.22 3dxj n ARG 237 N -3.34 -0.04 -0.30 2.37 1.74 0.65 0.17 116.66 117.91 3dxj n ARG 237 Ca -0.04 1.07 0.12 0.00 -0.77 0.00 0.00 57.85 58.23 3dxj n ARG 237 Cb 0.14 -1.98 0.35 0.00 -1.02 0.00 0.00 32.46 29.95 3dxj n ARG 237 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3dxj h LEU 238 N 0.00 0.72 -1.32 0.55 3.38 0.11 0.42 115.31 119.16 3dxj h LEU 238 Ca 0.69 0.05 0.27 0.00 0.09 0.00 0.00 57.88 58.98 3dxj h LEU 238 Cb 1.96 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 42.52 3dxj h LEU 238 CO -0.53 0.34 0.67 0.15 0.09 0.00 0.00 178.44 179.16 3dxj h PHE 239 N 0.75 0.70 -0.82 1.13 3.04 0.17 0.45 116.94 122.35 3dxj h PHE 239 Ca 0.48 0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.61 3dxj h PHE 239 Cb 0.73 -0.20 -0.15 0.00 2.56 0.00 0.00 35.95 38.90 3dxj h PHE 239 CO -0.00 0.04 -0.25 2.41 -2.02 0.00 0.00 178.31 178.49 3dxj n THR 240 N -4.67 -0.38 0.00 4.41 -1.04 0.15 0.11 114.28 112.86 3dxj n THR 240 Ca 0.26 1.89 0.00 0.00 -2.04 0.00 0.00 64.05 64.16 3dxj n THR 240 Cb 0.90 -2.57 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 3dxj n THR 240 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dxj n LEU 241 N -5.29 0.00 -4.04 -4.42 4.77 0.15 -4.30 117.00 103.87 3dxj n LEU 241 Ca 0.11 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.99 3dxj n LEU 241 Cb 0.38 -0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 41.13 3dxj n LEU 241 CO -0.10 -0.17 -0.48 -0.76 -1.33 0.00 0.00 177.39 174.54 3dxj s LEU 242 N -2.21 1.67 0.87 2.23 1.43 0.30 -5.08 118.68 117.89 3dxj s LEU 242 Ca 0.00 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3dxj s LEU 242 Cb 0.00 -0.99 0.11 0.00 0.03 0.00 0.00 46.19 45.35 3dxj s LEU 242 CO 0.00 0.02 1.09 -0.60 0.23 0.00 0.00 176.35 177.09 3dxj s ARG 243 N 0.88 1.45 -0.20 1.70 3.52 -1.26 -4.60 118.95 120.44 3dxj s ARG 243 Ca -0.10 0.90 -0.16 0.00 -0.13 0.00 0.00 55.73 56.25 3dxj s ARG 243 Cb -0.15 -1.82 -0.11 0.00 -1.56 0.00 0.00 34.95 31.30 3dxj s ARG 243 CO 0.01 -2.13 -0.09 -2.30 -0.81 0.00 0.00 175.30 169.98 3dxj n PRO 244 N -3.82 0.53 -3.47 5.12 -0.02 -1.26 -4.97 135.00 127.12 3dxj n PRO 244 Ca 0.07 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 62.01 3dxj n PRO 244 Cb 0.55 -1.64 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 3dxj n PRO 244 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3dxj s GLY 245 N -4.82 0.05 -0.23 -1.23 0.00 -1.26 -5.16 107.32 94.67 3dxj s GLY 245 Ca -0.27 3.28 -0.11 0.00 0.00 0.00 0.00 44.72 47.62 3dxj s GLY 245 CO 0.44 3.01 0.53 -0.35 0.00 0.00 0.00 173.10 176.74 3dxj s ASP 246 N 1.87 -0.70 0.98 1.64 -1.08 -1.26 -5.17 116.67 112.95 3dxj s ASP 246 Ca -0.05 1.20 -0.14 0.00 -0.52 0.00 0.00 52.55 53.04 3dxj s ASP 246 Cb -0.04 1.24 0.03 0.00 -1.46 0.00 0.00 42.92 42.68 3dxj s ASP 246 CO -0.15 -0.22 0.24 -0.81 0.52 0.00 0.00 175.17 174.75 3dxj n PRO 247 N 4.58 -0.42 0.00 4.34 -0.04 -1.26 -4.87 135.00 137.33 3dxj n PRO 247 Ca -0.19 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 3dxj n PRO 247 Cb 0.55 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 3dxj n PRO 247 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3dxj n PRO 248 N -1.36 0.57 -0.18 0.54 -0.02 -1.26 -3.88 135.00 129.40 3dxj n PRO 248 Ca 0.05 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.47 3dxj n PRO 248 Cb 0.55 -1.00 0.09 0.00 -0.02 0.00 0.00 33.50 33.12 3dxj n PRO 248 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dxj h LYS 249 N 0.00 0.98 -2.42 -0.52 3.64 -2.03 -3.14 116.57 113.08 3dxj h LYS 249 Ca 0.00 -0.27 -0.23 0.00 -1.27 0.00 0.00 60.65 58.89 3dxj h LYS 249 Cb 0.00 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 3dxj h LYS 249 CO 0.00 0.93 0.52 0.54 -2.27 0.00 0.00 179.45 179.17 3dxj n ARG 250 N -4.21 1.86 -0.31 1.90 1.74 -1.25 -4.71 116.66 111.69 3dxj n ARG 250 Ca 0.04 -1.01 0.26 0.00 -0.77 0.00 0.00 57.85 56.37 3dxj n ARG 250 Cb 0.30 -2.05 0.43 0.00 -1.02 0.00 0.00 32.46 30.12 3dxj n ARG 250 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dxj n ASP 251 N 2.87 0.12 -2.67 0.55 9.92 -1.19 0.12 116.55 126.28 3dxj n ASP 251 Ca 0.40 0.86 -0.04 0.00 -0.53 0.00 0.00 54.79 55.48 3dxj n ASP 251 Cb 0.61 -0.42 0.05 0.00 -0.64 0.00 0.00 41.12 40.72 3dxj n ASP 251 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3dxj n LYS 252 N -3.89 1.99 0.00 -1.24 5.02 -1.26 -4.91 118.16 113.86 3dxj n LYS 252 Ca 0.26 -3.58 0.00 0.00 -2.02 0.00 0.00 58.31 52.97 3dxj n LYS 252 Cb 1.01 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3dxj n LYS 252 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxj n ALA 253 N -0.60 -0.03 1.30 7.82 0.00 0.12 -1.99 120.51 127.14 3dxj n ALA 253 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.71 3dxj n ALA 253 Cb 0.83 0.21 0.55 0.00 0.00 0.00 0.00 19.45 21.04 3dxj n ALA 253 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3dxj n VAL 254 N -1.19 0.00 0.00 0.00 0.24 -1.26 -4.28 118.33 111.84 3dxj n VAL 254 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3dxj n VAL 254 Cb 0.00 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 3dxj n VAL 254 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dxj n ALA 255 N -1.05 0.00 -0.36 2.33 0.00 -0.96 -2.72 120.51 117.75 3dxj n ALA 255 Ca 0.12 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.87 3dxj n ALA 255 Cb 0.30 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.25 3dxj n ALA 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dxj n TYR 256 N -0.07 0.45 0.32 0.00 0.53 -0.84 0.22 117.16 117.76 3dxj n TYR 256 Ca 0.00 0.45 0.20 0.00 -1.02 0.00 0.00 57.90 57.53 3dxj n TYR 256 Cb 0.00 -0.85 1.09 0.00 -1.03 0.00 0.00 39.34 38.56 3dxj n TYR 256 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3dxj h VAL 257 N 0.00 0.20 -0.12 -0.72 2.07 -1.71 -2.04 116.25 113.93 3dxj h VAL 257 Ca 0.64 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.16 3dxj h VAL 257 Cb 2.12 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 3dxj h VAL 257 CO -0.30 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.07 3dxj n TYR 258 N -3.36 0.25 -0.06 1.57 0.53 0.60 -4.25 117.16 112.45 3dxj n TYR 258 Ca -0.03 -0.65 -0.05 0.00 -1.02 0.00 0.00 57.90 56.14 3dxj n TYR 258 Cb 0.10 -0.10 -0.02 0.00 -1.03 0.00 0.00 39.34 38.29 3dxj n TYR 258 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3dxj n GLY 259 N -0.43 -0.58 1.76 2.72 0.00 -0.77 -4.55 105.19 103.34 3dxj n GLY 259 Ca 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 3dxj n GLY 259 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dxj n LEU 260 N -3.77 2.59 -4.92 0.99 7.94 -1.22 -1.15 117.00 117.47 3dxj n LEU 260 Ca -0.08 -3.45 -0.24 0.00 -1.11 0.00 0.00 56.01 51.13 3dxj n LEU 260 Cb 0.30 -0.10 -0.00 0.00 0.53 0.00 0.00 43.42 44.16 3dxj n LEU 260 CO 0.12 1.28 0.08 -0.63 -1.11 0.00 0.00 177.39 177.14 3dxj s ILE 261 N -2.97 2.02 0.47 1.96 1.01 -1.26 -5.02 121.20 117.41 3dxj s ILE 261 Ca 0.38 -1.37 0.19 0.00 0.00 0.00 0.00 60.65 59.85 3dxj s ILE 261 Cb 0.37 -2.39 0.36 0.00 0.01 0.00 0.00 42.46 40.81 3dxj s ILE 261 CO -0.06 0.00 1.97 0.00 0.00 0.00 0.00 174.94 176.85 3dxj h ALA 262 N 0.74 2.25 0.26 9.38 0.00 -1.95 -3.26 119.26 126.68 3dxj h ALA 262 Ca -0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3dxj h ALA 262 Cb 1.29 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3dxj h ALA 262 CO 0.55 -0.41 -0.35 -0.44 0.00 0.00 0.00 179.25 178.60 3dxj h ASP 263 N 0.24 -0.98 -0.43 0.00 3.45 -1.94 -3.24 116.42 113.52 3dxj h ASP 263 Ca 0.29 0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.82 3dxj h ASP 263 Cb 0.83 0.34 -0.02 0.00 -0.56 0.00 0.00 39.33 39.91 3dxj h ASP 263 CO -0.06 -0.43 0.22 1.55 -1.57 0.00 0.00 179.24 178.95 3dxj h PRO 264 N -0.63 0.65 -6.19 3.56 0.13 -1.81 -3.35 132.00 124.36 3dxj h PRO 264 Ca -0.03 -0.07 -0.57 0.00 -0.87 0.00 0.00 66.00 64.45 3dxj h PRO 264 Cb 0.57 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 3dxj h PRO 264 CO -0.09 0.51 1.31 -0.98 -0.23 0.00 0.00 178.00 178.52 3dxj s ARG 265 N -5.38 3.54 -0.02 0.86 1.70 -1.22 -4.79 118.95 113.64 3dxj s ARG 265 Ca -0.09 1.95 -0.25 0.00 -0.47 0.00 0.00 55.73 56.87 3dxj s ARG 265 Cb 0.17 -4.21 -0.20 0.00 -0.57 0.00 0.00 34.95 30.14 3dxj s ARG 265 CO 0.76 -1.62 1.24 0.00 -1.08 0.00 0.00 175.30 174.60 3dxj h ARG 266 N 12.65 0.09 0.00 3.89 -0.00 -1.86 -3.34 114.38 125.81 3dxj h ARG 266 Ca -0.40 -0.05 -0.42 0.00 -0.50 0.00 0.00 59.98 58.61 3dxj h ARG 266 Cb 1.20 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.17 3dxj h ARG 266 CO 0.98 0.61 -0.14 0.98 0.00 0.00 0.00 179.97 182.39 3dxj n TYR 267 N -4.75 -1.57 0.00 3.04 9.36 -1.26 -3.81 117.16 118.18 3dxj n TYR 267 Ca -0.08 -1.76 0.00 0.00 3.32 0.00 0.00 57.90 59.37 3dxj n TYR 267 Cb 0.31 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.62 3dxj n TYR 267 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3dxj n ASP 268 N -2.15 0.00 -2.07 2.98 2.03 -1.26 -3.62 116.55 112.46 3dxj n ASP 268 Ca 0.05 0.62 -0.22 0.00 0.52 0.00 0.00 54.79 55.76 3dxj n ASP 268 Cb 0.49 -0.26 0.13 0.00 -0.72 0.00 0.00 41.12 40.75 3dxj n ASP 268 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dxj n LEU 269 N -1.29 6.42 0.00 -2.67 4.77 -1.26 -4.74 117.00 118.23 3dxj n LEU 269 Ca 0.00 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.55 3dxj n LEU 269 Cb 0.00 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 3dxj n LEU 269 CO 0.00 1.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 3dxj n GLY 270 N -0.79 1.79 0.10 -0.72 0.00 -1.24 -4.80 105.19 99.53 3dxj n GLY 270 Ca 0.51 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.27 3dxj n GLY 270 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 271 N 0.00 -0.02 0.00 1.61 -0.58 -1.26 0.26 120.64 120.65 3dxj n GLU 271 Ca 0.00 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 3dxj n GLU 271 Cb 0.00 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3dxj n GLU 271 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dxj n ALA 272 N -3.37 -0.18 0.01 0.62 0.00 -1.26 -1.21 120.51 115.12 3dxj n ALA 272 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 3dxj n ALA 272 Cb 0.26 0.14 0.12 0.00 0.00 0.00 0.00 19.45 19.97 3dxj n ALA 272 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dxj h GLY 273 N 0.00 0.54 0.01 0.00 0.00 0.09 -3.29 103.07 100.41 3dxj h GLY 273 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 46.81 3dxj h GLY 273 CO 0.00 0.49 -0.46 -0.09 0.00 0.00 0.00 176.54 176.48 3dxj h ARG 274 N 0.41 -0.56 -0.72 4.80 2.43 0.36 -0.52 114.38 120.57 3dxj h ARG 274 Ca 0.03 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.34 3dxj h ARG 274 Cb 0.91 0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 30.47 3dxj h ARG 274 CO 0.08 -0.38 -0.31 0.98 -1.51 0.00 0.00 179.97 178.83 3dxj n TYR 275 N -5.05 -0.05 0.00 2.20 9.36 -0.35 -0.56 117.16 122.71 3dxj n TYR 275 Ca -0.06 0.90 0.00 0.00 3.32 0.00 0.00 57.90 62.05 3dxj n TYR 275 Cb 0.34 -0.73 0.00 0.00 -0.63 0.00 0.00 39.34 38.33 3dxj n TYR 275 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3dxj n LYS 276 N -5.03 0.00 -0.19 2.98 5.02 -0.30 -2.21 118.16 118.42 3dxj n LYS 276 Ca 0.06 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 3dxj n LYS 276 Cb 0.27 -0.40 -0.03 0.00 -0.02 0.00 0.00 35.03 34.84 3dxj n LYS 276 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxj n ALA 277 N -3.00 -0.25 -0.15 7.82 0.00 -0.60 0.03 120.51 124.35 3dxj n ALA 277 Ca 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 3dxj n ALA 277 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 3dxj n ALA 277 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dxj h GLU 278 N 0.00 -0.21 0.00 0.00 4.81 -0.94 2.80 114.58 121.04 3dxj h GLU 278 Ca 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3dxj h GLU 278 Cb 0.20 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3dxj h GLU 278 CO -0.44 -0.14 0.15 -1.91 -0.73 0.00 0.00 179.01 175.94 3dxj n GLU 279 N -4.63 0.10 -0.00 1.92 2.13 0.10 -0.70 120.64 119.56 3dxj n GLU 279 Ca -0.02 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.38 3dxj n GLU 279 Cb 0.23 -1.96 0.01 0.00 0.27 0.00 0.00 31.44 29.98 3dxj n GLU 279 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3dxj n LYS 280 N -2.04 -0.17 -2.34 5.31 5.02 0.37 -4.75 118.16 119.56 3dxj n LYS 280 Ca -0.01 -0.74 0.00 0.00 -2.02 0.00 0.00 58.31 55.54 3dxj n LYS 280 Cb 0.17 -1.02 0.04 0.00 -0.02 0.00 0.00 35.03 34.20 3dxj n LYS 280 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dxj n LEU 281 N -0.03 1.62 0.00 -0.35 4.77 0.85 -5.00 117.00 118.86 3dxj n LEU 281 Ca 0.01 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.15 3dxj n LEU 281 Cb 0.07 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3dxj n LEU 281 CO 0.01 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3dxj n GLY 282 N -0.30 1.59 0.00 -0.72 0.00 -1.08 -4.84 105.19 99.84 3dxj n GLY 282 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3dxj n GLY 282 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dxj n ILE 283 N 0.00 0.00 -0.60 -0.61 2.08 -1.26 -4.63 119.36 114.34 3dxj n ILE 283 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3dxj n ILE 283 Cb 0.00 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 38.59 3dxj n ILE 283 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3dxj n ARG 284 N 0.00 -0.51 -0.99 0.38 1.74 -1.26 -4.58 116.66 111.43 3dxj n ARG 284 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3dxj n ARG 284 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3dxj n ARG 284 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3dxj n LEU 285 N 0.00 0.00 -4.62 0.55 -0.00 -1.26 -5.01 117.00 106.66 3dxj n LEU 285 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.62 3dxj n LEU 285 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 3dxj n LEU 285 CO 0.00 0.00 0.09 -0.44 -0.00 0.00 0.00 177.39 177.04 3dxj s SER 286 N 0.01 6.30 1.00 1.45 0.01 -1.26 -4.92 113.70 116.29 3dxj s SER 286 Ca 0.00 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.61 3dxj s SER 286 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 3dxj s SER 286 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 3dxj n GLY 287 N 4.53 1.52 0.00 3.44 0.00 -1.26 -1.95 105.19 111.48 3dxj n GLY 287 Ca -0.08 0.51 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 3dxj n GLY 287 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dxj n ARG 288 N 0.00 2.63 0.00 1.61 1.85 -1.26 -4.94 116.66 116.55 3dxj n ARG 288 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3dxj n ARG 288 Cb 0.00 -1.01 0.00 0.00 -1.05 0.00 0.00 32.46 30.40 3dxj n ARG 288 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3dxj n THR 289 N -1.84 0.00 -2.82 8.89 -1.04 -0.82 -4.25 114.28 112.40 3dxj n THR 289 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3dxj n THR 289 Cb 0.34 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.90 3dxj n THR 289 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3dxj n LEU 290 N -1.08 1.45 -4.76 -4.42 4.77 -0.30 -4.33 117.00 108.33 3dxj n LEU 290 Ca 0.00 -2.97 -0.37 0.00 -0.03 0.00 0.00 56.01 52.63 3dxj n LEU 290 Cb 0.00 0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 3dxj n LEU 290 CO 0.00 1.02 0.88 0.00 -1.33 0.00 0.00 177.39 177.96 3dxj s ALA 291 N -3.50 2.91 -0.41 -1.18 0.00 -1.16 -4.59 121.76 113.82 3dxj s ALA 291 Ca 0.27 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.32 3dxj s ALA 291 Cb 0.33 -3.45 0.19 0.00 0.00 0.00 0.00 23.12 20.19 3dxj s ALA 291 CO -0.05 -0.92 0.81 0.50 0.00 0.00 0.00 175.76 176.11 3dxj s ARG 292 N -2.79 0.67 -0.16 0.00 6.06 -1.26 -4.66 118.95 116.82 3dxj s ARG 292 Ca 0.67 -0.44 -0.15 0.00 -2.50 0.00 0.00 55.73 53.31 3dxj s ARG 292 Cb -0.33 0.03 -0.12 0.00 0.06 0.00 0.00 34.95 34.59 3dxj s ARG 292 CO 0.39 -0.90 0.12 0.35 -2.50 0.00 0.00 175.30 172.75 3dxj h PHE 293 N 5.70 0.00 -1.22 5.12 3.04 -1.92 -3.37 116.94 124.29 3dxj h PHE 293 Ca 0.03 0.00 -0.56 0.00 3.98 0.00 0.00 57.97 61.42 3dxj h PHE 293 Cb 1.17 0.00 -0.20 0.00 2.56 0.00 0.00 35.95 39.48 3dxj h PHE 293 CO 0.05 0.69 0.59 0.39 -2.02 0.00 0.00 178.31 178.01 3dxj n GLU 294 N -4.57 2.43 0.00 1.11 1.02 -1.26 -4.04 120.64 115.34 3dxj n GLU 294 Ca -0.16 -2.60 0.00 0.00 -0.02 0.00 0.00 57.16 54.38 3dxj n GLU 294 Cb 0.41 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 3dxj n GLU 294 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3dxj n ASP 295 N 0.35 0.00 0.00 1.62 2.03 -1.26 -5.07 116.55 114.22 3dxj n ASP 295 Ca 0.49 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.80 3dxj n ASP 295 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 3dxj n ASP 295 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dxj n GLY 296 N -0.05 2.35 3.72 0.27 0.00 -1.26 -4.90 105.19 105.33 3dxj n GLY 296 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3dxj n GLY 296 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 297 N 0.00 1.41 -4.01 1.61 4.71 -1.26 -4.95 120.64 118.15 3dxj n GLU 297 Ca 0.00 0.53 -0.36 0.00 -0.01 0.00 0.00 57.16 57.32 3dxj n GLU 297 Cb 0.00 -2.50 -0.07 0.00 -1.01 0.00 0.00 31.44 27.86 3dxj n GLU 297 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3dxj s PHE 298 N -1.34 3.47 0.35 -0.32 0.40 -1.26 -4.89 117.98 114.38 3dxj s PHE 298 Ca 0.76 0.42 0.04 0.00 -0.60 0.00 0.00 56.93 57.54 3dxj s PHE 298 Cb -0.41 -1.92 -0.01 0.00 0.51 0.00 0.00 43.02 41.19 3dxj s PHE 298 CO 0.46 0.63 0.52 0.21 0.70 0.00 0.00 175.22 177.74 3dxj s LYS 299 N -0.88 3.19 -0.26 0.44 2.20 -1.26 -4.24 119.74 118.93 3dxj s LYS 299 Ca 0.14 -0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 55.00 3dxj s LYS 299 Cb -0.12 -2.74 0.15 0.00 -1.51 0.00 0.00 37.83 33.61 3dxj s LYS 299 CO 0.03 0.03 0.40 0.34 -0.36 0.00 0.00 175.35 175.79 3dxj s ASP 300 N -4.14 0.27 -0.28 1.43 -1.08 -1.26 -4.77 116.67 106.84 3dxj s ASP 300 Ca 0.44 -0.01 0.12 0.00 -0.52 0.00 0.00 52.55 52.58 3dxj s ASP 300 Cb -0.10 1.14 0.70 0.00 -1.46 0.00 0.00 42.92 43.20 3dxj s ASP 300 CO 0.33 -0.32 1.69 -0.62 0.52 0.00 0.00 175.17 176.77 3dxj n GLU 301 N 5.36 3.60 0.00 4.34 1.02 -1.26 -4.32 120.64 129.38 3dxj n GLU 301 Ca -0.02 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.05 3dxj n GLU 301 Cb 0.50 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 3dxj n GLU 301 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dxj n VAL 302 N -0.19 0.00 -0.30 2.62 0.31 -1.26 -4.21 118.33 115.29 3dxj n VAL 302 Ca 0.34 0.03 0.16 0.00 -0.01 0.00 0.00 64.34 64.86 3dxj n VAL 302 Cb 1.23 -0.97 0.41 0.00 -0.91 0.00 0.00 33.84 33.60 3dxj n VAL 302 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3dxj h PHE 303 N 0.00 0.81 0.00 3.52 -1.00 -1.98 -1.46 116.94 116.84 3dxj h PHE 303 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3dxj h PHE 303 Cb 0.00 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.31 3dxj h PHE 303 CO 0.00 0.20 0.00 -0.11 -1.61 0.00 0.00 178.31 176.79 3dxj n LEU 304 N -4.63 0.00 0.00 1.54 7.94 -1.26 0.13 117.00 120.71 3dxj n LEU 304 Ca 0.22 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.61 3dxj n LEU 304 Cb 0.64 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.41 3dxj n LEU 304 CO 0.26 -0.18 0.45 -2.65 -1.11 0.00 0.00 177.39 174.17 3dxj n PRO 305 N -1.84 0.00 0.00 1.96 -0.02 -0.60 -1.96 135.00 132.55 3dxj n PRO 305 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3dxj n PRO 305 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3dxj n PRO 305 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3dxj n THR 306 N -1.89 0.00 -0.04 3.45 -1.04 -0.91 0.16 114.28 114.01 3dxj n THR 306 Ca 0.00 0.44 -0.07 0.00 -2.04 0.00 0.00 64.05 62.38 3dxj n THR 306 Cb 0.00 -0.59 -0.05 0.00 -1.82 0.00 0.00 70.33 67.87 3dxj n THR 306 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3dxj h LEU 307 N 0.00 -0.86 -0.92 -4.42 5.85 0.93 0.64 115.31 116.53 3dxj h LEU 307 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3dxj h LEU 307 Cb 0.00 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3dxj h LEU 307 CO 0.00 -0.20 0.22 -2.11 -0.34 0.00 0.00 178.44 176.01 3dxj n ARG 308 N -3.95 0.09 0.03 1.25 1.85 0.14 -0.34 116.66 115.74 3dxj n ARG 308 Ca -0.02 0.57 -0.20 0.00 -1.00 0.00 0.00 57.85 57.20 3dxj n ARG 308 Cb 0.17 -2.03 -0.14 0.00 -1.05 0.00 0.00 32.46 29.40 3dxj n ARG 308 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 3dxj h TYR 309 N 0.00 0.51 0.00 2.89 3.20 0.73 -2.58 116.97 121.71 3dxj h TYR 309 Ca 0.00 -0.37 -0.03 0.00 3.14 0.00 0.00 58.73 61.47 3dxj h TYR 309 Cb 0.45 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 3dxj h TYR 309 CO 0.00 1.61 -0.14 1.25 -1.64 0.00 0.00 178.16 179.25 3dxj h LEU 310 N 0.08 0.00 0.25 2.82 5.85 0.15 0.44 115.31 124.91 3dxj h LEU 310 Ca -0.36 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 3dxj h LEU 310 Cb 2.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.08 3dxj h LEU 310 CO 0.13 0.14 -0.12 -0.26 -0.34 0.00 0.00 178.44 177.98 3dxj h PHE 311 N 0.00 -0.31 -0.81 1.25 0.05 -1.50 1.77 116.94 117.39 3dxj h PHE 311 Ca -0.00 -0.01 0.23 0.00 3.82 0.00 0.00 57.97 62.01 3dxj h PHE 311 Cb 0.32 0.10 -0.04 0.00 2.00 0.00 0.00 35.95 38.34 3dxj h PHE 311 CO 0.00 0.06 0.57 0.00 -0.18 0.00 0.00 178.31 178.76 3dxj h ALA 312 N -0.30 2.67 0.00 2.45 0.00 -0.85 0.01 119.26 123.23 3dxj h ALA 312 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dxj h ALA 312 Cb 0.51 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3dxj h ALA 312 CO 0.06 -0.90 -0.18 1.25 0.00 0.00 0.00 179.25 179.47 3dxj h LEU 313 N 0.06 0.00 -0.21 0.00 5.85 0.14 -3.25 115.31 117.91 3dxj h LEU 313 Ca 0.39 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3dxj h LEU 313 Cb 1.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3dxj h LEU 313 CO -0.03 0.86 0.00 0.35 -0.34 0.00 0.00 178.44 179.28 3dxj n THR 314 N -4.65 0.00 -0.24 1.05 -2.24 0.60 -4.47 114.28 104.33 3dxj n THR 314 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3dxj n THR 314 Cb 0.31 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3dxj n THR 314 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dxj n ALA 315 N -0.30 0.00 -1.60 6.98 0.00 -0.16 -4.99 120.51 120.45 3dxj n ALA 315 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dxj n ALA 315 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dxj n ALA 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 316 N 5.00 0.49 1.95 0.00 0.00 -1.26 -4.91 105.19 106.45 3dxj n GLY 316 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3dxj n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dxj n VAL 317 N -0.09 2.27 -1.98 1.61 0.31 -1.26 -4.79 118.33 114.41 3dxj n VAL 317 Ca 0.00 -3.86 -0.41 0.00 -0.01 0.00 0.00 64.34 60.06 3dxj n VAL 317 Cb 0.00 -0.66 -0.00 0.00 -0.91 0.00 0.00 33.84 32.27 3dxj n VAL 317 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3dxj n PRO 318 N -0.72 3.58 0.00 5.55 -0.02 -1.26 -4.49 135.00 137.65 3dxj n PRO 318 Ca 0.35 -3.09 0.00 0.00 -2.02 0.00 0.00 63.50 58.75 3dxj n PRO 318 Cb 0.92 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3dxj n PRO 318 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 319 N 3.07 3.14 4.14 -1.23 0.00 -1.26 -4.64 105.19 108.42 3dxj n GLY 319 Ca 0.52 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 3dxj n GLY 319 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3dxj n HIS 320 N -0.98 -1.43 -1.36 1.61 1.44 -1.26 -4.83 115.22 108.41 3dxj n HIS 320 Ca 0.00 0.57 -0.38 0.00 -2.01 0.00 0.00 57.72 55.89 3dxj n HIS 320 Cb 0.00 -3.11 -0.02 0.00 0.12 0.00 0.00 29.99 26.98 3dxj n HIS 320 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 3dxj n GLU 321 N -4.58 3.22 0.00 -1.40 0.00 -1.26 -4.95 120.64 111.67 3dxj n GLU 321 Ca -0.28 -2.22 0.00 0.00 0.00 0.00 0.00 57.16 54.65 3dxj n GLU 321 Cb 0.67 -2.91 0.00 0.00 0.00 0.00 0.00 31.44 29.20 3dxj n GLU 321 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3dxj n VAL 322 N 4.16 0.00 -3.20 3.84 0.31 -1.26 -4.58 118.33 117.60 3dxj n VAL 322 Ca 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 65.00 3dxj n VAL 322 Cb 0.27 -0.46 -0.02 0.00 -0.91 0.00 0.00 33.84 32.73 3dxj n VAL 322 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3dxj s ASP 323 N -1.77 -1.01 -0.46 4.52 1.01 -0.96 -4.60 116.67 113.40 3dxj s ASP 323 Ca 0.00 0.29 -0.22 0.00 0.71 0.00 0.00 52.55 53.32 3dxj s ASP 323 Cb 0.00 1.81 0.03 0.00 1.01 0.00 0.00 42.92 45.77 3dxj s ASP 323 CO 0.00 -0.30 0.76 -0.62 0.21 0.00 0.00 175.17 175.23 3dxj s ASP 324 N 2.76 6.37 0.04 0.27 -1.08 -1.26 -4.67 116.67 119.10 3dxj s ASP 324 Ca 0.13 -0.24 -0.26 0.00 -0.52 0.00 0.00 52.55 51.66 3dxj s ASP 324 Cb -0.12 -2.37 -0.17 0.00 -1.46 0.00 0.00 42.92 38.79 3dxj s ASP 324 CO -0.24 -0.92 1.47 0.40 0.52 0.00 0.00 175.17 176.39 3dxj h ILE 325 N 5.96 0.89 0.00 4.11 5.03 -1.98 -2.84 117.51 128.67 3dxj h ILE 325 Ca -0.25 -0.42 0.00 0.00 -0.12 0.00 0.00 64.86 64.06 3dxj h ILE 325 Cb 1.09 1.15 0.00 0.00 -3.03 0.00 0.00 36.82 36.02 3dxj h ILE 325 CO 0.96 0.10 0.29 0.44 -0.68 0.00 0.00 178.15 179.26 3dxj h ASP 326 N -0.46 0.00 -2.70 1.72 3.32 -1.91 -3.39 116.42 112.99 3dxj h ASP 326 Ca -0.03 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.50 3dxj h ASP 326 Cb 0.36 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.94 3dxj h ASP 326 CO 0.04 0.00 0.98 -2.28 -1.72 0.00 0.00 179.24 176.26 3dxj s HIS 327 N -3.40 2.67 0.23 4.55 2.46 -1.07 -4.87 115.29 115.86 3dxj s HIS 327 Ca -0.02 0.36 -0.08 0.00 0.47 0.00 0.00 55.06 55.80 3dxj s HIS 327 Cb 0.04 -4.02 0.37 0.00 -0.13 0.00 0.00 32.58 28.84 3dxj s HIS 327 CO 0.13 -3.98 1.68 -0.07 -2.47 0.00 0.00 174.74 170.03 3dxj h LEU 328 N 7.67 -0.11 -2.17 8.88 3.38 -1.90 0.66 115.31 131.72 3dxj h LEU 328 Ca -0.43 0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3dxj h LEU 328 Cb 1.21 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 3dxj h LEU 328 CO 0.93 -0.06 0.28 1.23 0.09 0.00 0.00 178.44 180.91 3dxj h GLY 329 N 0.20 0.00 -2.78 0.83 0.00 -1.90 0.37 103.07 99.79 3dxj h GLY 329 Ca 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.54 3dxj h GLY 329 CO -0.50 0.00 0.14 0.70 0.00 0.00 0.00 176.54 176.87 3dxj n ASN 330 N -2.97 4.09 -3.82 0.19 3.02 0.23 -4.92 115.26 111.08 3dxj n ASN 330 Ca -0.02 -3.29 -0.12 0.00 -0.03 0.00 0.00 54.58 51.12 3dxj n ASN 330 Cb 0.34 -0.67 -0.11 0.00 -0.61 0.00 0.00 39.78 38.72 3dxj n ASN 330 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dxj s ARG 331 N -3.01 0.32 0.22 3.52 0.52 0.13 -3.80 118.95 116.85 3dxj s ARG 331 Ca 0.50 0.07 0.10 0.00 -0.52 0.00 0.00 55.73 55.88 3dxj s ARG 331 Cb 0.41 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.98 3dxj s ARG 331 CO 0.09 -0.06 -0.13 0.50 0.02 0.00 0.00 175.30 175.72 3dxj s ARG 332 N -0.37 1.90 -0.35 3.54 3.52 0.12 -4.74 118.95 122.57 3dxj s ARG 332 Ca -0.05 -1.46 -0.00 0.00 -0.13 0.00 0.00 55.73 54.09 3dxj s ARG 332 Cb -0.03 -2.01 0.09 0.00 -1.56 0.00 0.00 34.95 31.44 3dxj s ARG 332 CO 0.01 0.39 0.08 -1.50 -0.81 0.00 0.00 175.30 173.47 3dxj s ILE 333 N -1.99 2.81 -0.30 4.11 1.10 -0.68 0.41 121.20 126.66 3dxj s ILE 333 Ca 0.26 -1.93 -0.29 0.00 -0.51 0.00 0.00 60.65 58.18 3dxj s ILE 333 Cb -0.07 -2.86 0.01 0.00 0.15 0.00 0.00 42.46 39.68 3dxj s ILE 333 CO 0.15 -0.45 1.20 -0.13 -2.11 0.00 0.00 174.94 173.60 3dxj s ARG 334 N 1.10 3.99 0.63 3.50 0.52 0.45 -4.61 118.95 124.52 3dxj s ARG 334 Ca 0.04 1.18 -0.00 0.00 -0.52 0.00 0.00 55.73 56.43 3dxj s ARG 334 Cb -0.21 -3.82 0.07 0.00 0.52 0.00 0.00 34.95 31.52 3dxj s ARG 334 CO -0.05 -1.02 0.88 0.95 0.02 0.00 0.00 175.30 176.09 3dxj s THR 335 N 4.03 2.42 0.00 0.02 -4.23 -1.26 -1.31 115.64 115.31 3dxj s THR 335 Ca 0.52 -0.60 -0.01 0.00 -1.18 0.00 0.00 61.69 60.41 3dxj s THR 335 Cb -0.15 -2.82 -0.00 0.00 1.34 0.00 0.00 72.50 70.87 3dxj s THR 335 CO 0.20 0.00 0.91 0.52 -0.54 0.00 0.00 174.62 175.70 3dxj n VAL 336 N -2.59 -0.02 0.00 2.29 0.31 -1.26 0.14 118.33 117.21 3dxj n VAL 336 Ca 0.11 1.36 0.00 0.00 -0.01 0.00 0.00 64.34 65.80 3dxj n VAL 336 Cb 0.60 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3dxj n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dxj n GLY 337 N -1.01 -3.41 0.40 2.92 0.00 -1.26 0.14 105.19 102.98 3dxj n GLY 337 Ca 0.00 0.67 -0.05 0.00 0.00 0.00 0.00 46.02 46.65 3dxj n GLY 337 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxj n GLU 338 N -1.91 -0.31 -0.22 1.61 2.13 -0.99 0.19 120.64 121.14 3dxj n GLU 338 Ca 0.00 1.52 0.03 0.00 0.66 0.00 0.00 57.16 59.36 3dxj n GLU 338 Cb 0.00 -2.25 0.13 0.00 0.27 0.00 0.00 31.44 29.60 3dxj n GLU 338 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3dxj h LEU 339 N 0.00 -0.09 -0.37 4.31 3.38 0.28 -1.47 115.31 121.36 3dxj h LEU 339 Ca 0.27 0.14 -0.17 0.00 0.09 0.00 0.00 57.88 58.21 3dxj h LEU 339 Cb 0.52 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3dxj h LEU 339 CO -0.97 -0.05 -0.47 -0.03 0.09 0.00 0.00 178.44 177.01 3dxj h MET 340 N 0.21 0.88 0.25 1.13 4.05 0.56 -3.29 114.93 118.71 3dxj h MET 340 Ca 0.36 -0.51 0.01 0.00 -0.28 0.00 0.00 59.70 59.27 3dxj h MET 340 Cb 0.58 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 3dxj h MET 340 CO -0.49 1.15 -0.32 1.15 0.23 0.00 0.00 176.91 178.63 3dxj h THR 341 N 0.69 0.32 0.00 -0.77 2.02 0.76 -0.95 112.91 114.98 3dxj h THR 341 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 3dxj h THR 341 Cb 1.07 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3dxj h THR 341 CO 0.11 0.00 0.01 -0.90 0.37 0.00 0.00 175.52 175.11 3dxj n ASP 342 N -5.43 0.01 0.02 4.18 5.68 -0.84 0.17 116.55 120.34 3dxj n ASP 342 Ca -0.08 0.50 0.06 0.00 -0.50 0.00 0.00 54.79 54.76 3dxj n ASP 342 Cb 0.34 -0.50 -0.10 0.00 -1.14 0.00 0.00 41.12 39.72 3dxj n ASP 342 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 3dxj n GLN 343 N -1.50 0.64 0.01 0.11 -0.06 -0.57 -3.63 117.38 112.37 3dxj n GLN 343 Ca -0.00 0.01 -0.13 0.00 -2.00 0.00 0.00 57.00 54.89 3dxj n GLN 343 Cb 0.01 -1.67 -0.09 0.00 -4.06 0.00 0.00 30.24 24.42 3dxj n GLN 343 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 3dxj h PHE 344 N 0.00 -0.04 0.17 3.69 -0.00 0.30 -3.26 116.94 117.81 3dxj h PHE 344 Ca -0.11 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.85 3dxj h PHE 344 Cb 1.30 0.01 0.00 0.00 -0.00 0.00 0.00 35.95 37.26 3dxj h PHE 344 CO 0.00 0.39 -0.08 0.00 -0.00 0.00 0.00 178.31 178.62 3dxj h ARG 345 N -0.48 -0.22 -1.06 1.11 3.08 -1.48 -0.22 114.38 115.11 3dxj h ARG 345 Ca -0.00 0.02 0.30 0.00 0.07 0.00 0.00 59.98 60.36 3dxj h ARG 345 Cb 0.45 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.42 3dxj h ARG 345 CO 0.01 -0.15 0.65 -0.39 -1.07 0.00 0.00 179.97 179.02 3dxj h VAL 346 N -0.23 0.41 0.01 2.04 -1.51 -1.65 0.54 116.25 115.86 3dxj h VAL 346 Ca -0.02 -0.13 -0.29 0.00 -1.23 0.00 0.00 66.70 65.03 3dxj h VAL 346 Cb 0.18 -0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 29.29 3dxj h VAL 346 CO 0.04 0.07 -1.65 1.23 -1.23 0.00 0.00 177.57 176.03 3dxj h GLY 347 N 0.38 0.03 2.00 5.19 0.00 -1.56 -3.20 103.07 105.92 3dxj h GLY 347 Ca 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.92 3dxj h GLY 347 CO -0.44 0.08 0.00 -0.10 0.00 0.00 0.00 176.54 176.07 3dxj n LEU 348 N -3.13 0.69 0.06 3.11 7.94 0.14 -2.25 117.00 123.57 3dxj n LEU 348 Ca -0.16 0.66 -0.22 0.00 -1.11 0.00 0.00 56.01 55.19 3dxj n LEU 348 Cb 1.04 -0.56 -0.15 0.00 0.53 0.00 0.00 43.42 44.28 3dxj n LEU 348 CO 0.45 -0.55 -0.56 0.00 -1.11 0.00 0.00 177.39 175.63 3dxj h ALA 349 N 2.28 0.23 0.00 1.96 0.00 -0.10 -3.26 119.26 120.36 3dxj h ALA 349 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3dxj h ALA 349 Cb 0.38 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3dxj h ALA 349 CO 0.00 1.10 0.00 0.54 0.00 0.00 0.00 179.25 180.89 3dxj n ARG 350 N -3.55 0.08 -0.06 0.00 1.74 -0.95 -1.73 116.66 112.19 3dxj n ARG 350 Ca -0.25 0.24 -0.20 0.00 -0.77 0.00 0.00 57.85 56.87 3dxj n ARG 350 Cb 1.07 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.88 3dxj n ARG 350 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3dxj h LEU 351 N 0.00 0.12 -0.61 0.55 5.85 -1.59 -2.98 115.31 116.65 3dxj h LEU 351 Ca 0.00 -0.73 0.02 0.00 0.84 0.00 0.00 57.88 58.01 3dxj h LEU 351 Cb 0.15 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3dxj h LEU 351 CO 0.00 1.42 0.38 0.00 -0.34 0.00 0.00 178.44 179.90 3dxj h ALA 352 N -0.23 0.79 -0.13 1.25 0.00 -1.43 1.75 119.26 121.25 3dxj h ALA 352 Ca -0.26 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.68 3dxj h ALA 352 Cb 1.38 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3dxj h ALA 352 CO -0.08 0.14 -0.23 0.00 0.00 0.00 0.00 179.25 179.08 3dxj h ARG 353 N 0.76 -0.28 -0.03 0.00 3.08 -1.48 0.81 114.38 117.24 3dxj h ARG 353 Ca 0.24 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.34 3dxj h ARG 353 Cb -0.01 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3dxj h ARG 353 CO -0.09 -0.19 -0.27 0.78 -1.07 0.00 0.00 179.97 179.13 3dxj h GLY 354 N -0.29 -0.41 2.00 0.04 0.00 -0.59 -0.65 103.07 103.16 3dxj h GLY 354 Ca 0.10 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 3dxj h GLY 354 CO -0.30 -0.22 -0.06 -0.24 0.00 0.00 0.00 176.54 175.72 3dxj h VAL 355 N -0.40 0.31 0.00 4.60 3.04 0.32 -1.57 116.25 122.55 3dxj h VAL 355 Ca 0.07 -0.37 -0.07 0.00 -1.01 0.00 0.00 66.70 65.31 3dxj h VAL 355 Cb 0.50 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 3dxj h VAL 355 CO -0.26 0.06 -0.40 0.03 -1.01 0.00 0.00 177.57 176.00 3dxj h ARG 356 N 0.00 0.00 0.00 4.17 3.08 0.18 -2.96 114.38 118.85 3dxj h ARG 356 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dxj h ARG 356 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3dxj h ARG 356 CO 0.01 0.33 0.00 0.39 -1.07 0.00 0.00 179.97 179.63 3dxj n GLU 357 N -3.16 0.17 0.04 0.04 1.02 -0.37 -3.62 120.64 114.76 3dxj n GLU 357 Ca 0.02 0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 56.98 3dxj n GLU 357 Cb 0.67 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.45 3dxj n GLU 357 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dxj h ARG 358 N 0.00 0.27 -1.07 3.49 3.08 -1.42 -3.37 114.38 115.36 3dxj h ARG 358 Ca 0.00 -0.46 0.28 0.00 0.07 0.00 0.00 59.98 59.87 3dxj h ARG 358 Cb 0.40 0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.52 3dxj h ARG 358 CO 0.00 1.14 0.68 1.98 -1.07 0.00 0.00 179.97 182.70 3dxj h MET 359 N 0.07 0.36 0.00 0.04 1.85 -1.64 -2.93 114.93 112.69 3dxj h MET 359 Ca -0.34 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.72 3dxj h MET 359 Cb 2.05 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 34.00 3dxj h MET 359 CO 0.13 0.24 0.00 1.28 -0.40 0.00 0.00 176.91 178.16 3dxj n LEU 360 N -4.67 0.00 0.00 3.39 4.77 -1.26 -0.55 117.00 118.68 3dxj n LEU 360 Ca 0.27 0.61 0.05 0.00 -0.03 0.00 0.00 56.01 56.91 3dxj n LEU 360 Cb 0.93 -0.11 0.28 0.00 -2.33 0.00 0.00 43.42 42.19 3dxj n LEU 360 CO 0.24 -0.11 0.52 0.23 -1.33 0.00 0.00 177.39 176.93 3dxj n MET 361 N -1.35 0.56 -1.66 3.23 2.81 -1.21 -4.85 117.12 114.64 3dxj n MET 361 Ca 0.00 0.00 -0.53 0.00 -1.81 0.00 0.00 57.70 55.36 3dxj n MET 361 Cb 0.00 -1.26 -0.06 0.00 -0.71 0.00 0.00 33.22 31.18 3dxj n MET 361 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dxj n GLY 362 N 0.09 0.81 3.84 3.03 0.00 0.29 -4.98 105.19 108.27 3dxj n GLY 362 Ca 0.07 0.82 -0.30 0.00 0.00 0.00 0.00 46.02 46.61 3dxj n GLY 362 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dxj s SER 363 N 2.28 2.77 0.04 1.61 0.01 -1.26 -5.00 113.70 114.14 3dxj s SER 363 Ca 0.91 0.44 -0.18 0.00 1.31 0.00 0.00 55.95 58.43 3dxj s SER 363 Cb -0.95 -0.61 -0.09 0.00 0.21 0.00 0.00 66.02 64.58 3dxj s SER 363 CO 0.55 -2.96 1.28 -0.33 0.41 0.00 0.00 173.24 172.19 3dxj h GLU 364 N -1.79 -0.56 0.00 12.44 5.08 -1.96 -3.42 114.58 124.36 3dxj h GLU 364 Ca -0.45 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3dxj h GLU 364 Cb 1.26 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3dxj h GLU 364 CO 0.41 -0.37 0.00 -0.25 -1.00 0.00 0.00 179.01 177.80 3dxj n ASP 365 N -3.85 0.00 0.00 1.42 8.00 -1.26 -4.89 116.55 115.97 3dxj n ASP 365 Ca -0.07 -1.00 0.01 0.00 0.71 0.00 0.00 54.79 54.44 3dxj n ASP 365 Cb 0.25 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.40 3dxj n ASP 365 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3dxj n SER 366 N 0.00 0.00 -3.57 -2.24 7.64 -1.26 -4.11 113.62 110.07 3dxj n SER 366 Ca 0.00 -0.10 -0.19 0.00 1.01 0.00 0.00 58.87 59.59 3dxj n SER 366 Cb 0.34 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.40 3dxj n SER 366 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3dxj s LEU 367 N -1.71 -0.00 0.00 -3.43 0.20 -1.26 -4.94 118.68 107.54 3dxj s LEU 367 Ca 0.03 -0.13 0.00 0.00 0.69 0.00 0.00 54.13 54.72 3dxj s LEU 367 Cb 0.01 0.22 0.00 0.00 -0.43 0.00 0.00 46.19 45.99 3dxj s LEU 367 CO 0.02 -0.31 0.00 0.41 -0.29 0.00 0.00 176.35 176.18 3dxj n THR 368 N 5.31 0.00 -0.21 3.68 -1.04 -1.26 -5.00 114.28 115.77 3dxj n THR 368 Ca -0.06 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3dxj n THR 368 Cb 0.50 0.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 3dxj n THR 368 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3dxj n PRO 369 N -0.13 -0.17 0.00 -2.82 -0.02 -1.26 -4.80 135.00 125.80 3dxj n PRO 369 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.57 3dxj n PRO 369 Cb 0.00 0.00 0.51 0.00 -0.02 0.00 0.00 33.50 33.99 3dxj n PRO 369 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dxj n ALA 370 N -3.00 2.45 0.16 3.55 0.00 -1.26 -3.74 120.51 118.67 3dxj n ALA 370 Ca 0.00 -0.11 0.16 0.00 0.00 0.00 0.00 53.44 53.49 3dxj n ALA 370 Cb 0.00 -1.28 0.53 0.00 0.00 0.00 0.00 19.45 18.70 3dxj n ALA 370 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3dxj h LYS 371 N 0.00 0.00 -0.52 0.00 2.10 -1.99 2.67 116.57 118.83 3dxj h LYS 371 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dxj h LYS 371 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3dxj h LYS 371 CO 0.00 0.00 0.00 1.47 -2.00 0.00 0.00 179.45 178.92 3dxj n LEU 372 N -3.07 2.78 0.00 7.07 -0.00 -1.25 -4.90 117.00 117.64 3dxj n LEU 372 Ca 0.06 -1.39 -0.19 0.00 -0.00 0.00 0.00 56.01 54.49 3dxj n LEU 372 Cb 0.82 -0.35 -0.04 0.00 -0.00 0.00 0.00 43.42 43.85 3dxj n LEU 372 CO 0.16 0.66 -0.13 0.52 -0.00 0.00 0.00 177.39 178.59 3dxj n VAL 373 N 0.93 0.00 0.00 1.47 0.31 0.89 -4.42 118.33 117.51 3dxj n VAL 373 Ca 0.17 -1.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.11 3dxj n VAL 373 Cb 0.45 0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 3dxj n VAL 373 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3dxj n ASN 374 N -1.22 0.00 -0.11 4.52 5.15 -1.26 -5.05 115.26 117.29 3dxj n ASN 374 Ca -0.12 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.71 3dxj n ASN 374 Cb 0.37 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.52 3dxj n ASN 374 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3dxj n SER 375 N 0.00 2.27 -0.06 1.20 3.41 -1.26 -4.76 113.62 114.42 3dxj n SER 375 Ca 0.00 -0.11 -0.02 0.00 -0.26 0.00 0.00 58.87 58.48 3dxj n SER 375 Cb 0.00 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 3dxj n SER 375 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dxj n ARG 376 N -3.16 -0.06 -0.36 4.33 1.74 -1.26 0.91 116.66 118.80 3dxj n ARG 376 Ca -0.39 0.25 -0.01 0.00 -0.77 0.00 0.00 57.85 56.93 3dxj n ARG 376 Cb 0.91 -0.37 0.13 0.00 -1.02 0.00 0.00 32.46 32.11 3dxj n ARG 376 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3dxj h PRO 377 N 0.00 1.19 0.01 5.56 0.13 -1.92 -0.34 132.00 136.63 3dxj h PRO 377 Ca 0.02 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 65.00 3dxj h PRO 377 Cb 0.06 -0.27 0.01 0.00 0.13 0.00 0.00 31.00 30.93 3dxj h PRO 377 CO -0.13 0.79 -0.31 1.25 -0.23 0.00 0.00 178.00 179.36 3dxj h LEU 378 N 1.22 0.27 -0.49 1.56 5.85 -0.18 -2.86 115.31 120.68 3dxj h LEU 378 Ca 0.38 -0.79 0.05 0.00 0.84 0.00 0.00 57.88 58.36 3dxj h LEU 378 Cb -0.02 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 40.85 3dxj h LEU 378 CO -0.12 1.03 -0.49 -0.08 -0.34 0.00 0.00 178.44 178.44 3dxj h GLU 379 N -0.47 -0.24 0.00 1.25 4.57 0.78 -2.42 114.58 118.06 3dxj h GLU 379 Ca -0.04 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3dxj h GLU 379 Cb 1.08 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3dxj h GLU 379 CO 0.06 -0.16 0.00 0.00 -1.18 0.00 0.00 179.01 177.73 3dxj n ALA 380 N -3.08 -0.06 0.00 2.92 0.00 -0.16 -0.20 120.51 119.94 3dxj n ALA 380 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3dxj n ALA 380 Cb 0.27 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3dxj n ALA 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n ALA 381 N -1.30 0.00 0.47 0.00 0.00 -1.04 0.45 120.51 119.09 3dxj n ALA 381 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3dxj n ALA 381 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3dxj n ALA 381 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3dxj h ILE 382 N 0.00 0.00 -0.09 0.00 2.04 -1.30 1.01 117.51 119.17 3dxj h ILE 382 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3dxj h ILE 382 Cb 0.00 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.04 3dxj h ILE 382 CO 0.00 0.00 -0.38 -0.09 0.00 0.00 0.00 178.15 177.68 3dxj h ARG 383 N -1.23 -0.39 -0.94 2.37 2.43 0.45 0.12 114.38 117.19 3dxj h ARG 383 Ca -0.12 0.03 0.28 0.00 -0.81 0.00 0.00 59.98 59.36 3dxj h ARG 383 Cb 0.97 0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 30.45 3dxj h ARG 383 CO 0.16 -0.26 0.28 0.93 -1.51 0.00 0.00 179.97 179.57 3dxj h GLU 384 N -0.41 0.14 0.00 0.20 4.39 0.98 -2.66 114.58 117.22 3dxj h GLU 384 Ca 0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3dxj h GLU 384 Cb 0.47 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3dxj h GLU 384 CO -0.30 0.09 0.00 0.34 -1.16 0.00 0.00 179.01 177.98 3dxj n PHE 385 N -5.27 0.00 0.00 4.33 7.35 0.35 -2.07 117.46 122.15 3dxj n PHE 385 Ca 0.26 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 3dxj n PHE 385 Cb 0.84 -0.30 0.00 0.00 0.35 0.00 0.00 39.48 40.37 3dxj n PHE 385 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3dxj n PHE 386 N -1.48 0.00 -0.38 -5.13 3.01 -0.43 0.32 117.46 113.37 3dxj n PHE 386 Ca 0.00 0.00 0.34 0.00 1.01 0.00 0.00 57.45 58.80 3dxj n PHE 386 Cb 0.00 -0.14 0.68 0.00 -0.01 0.00 0.00 39.48 40.01 3dxj n PHE 386 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3dxj h SER 387 N 0.00 0.16 -0.05 4.37 4.64 -1.70 -2.38 113.55 118.59 3dxj h SER 387 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3dxj h SER 387 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3dxj h SER 387 CO 0.00 -0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3dxj n ARG 388 N -4.36 1.29 -2.02 4.77 3.00 -0.88 -5.03 116.66 113.44 3dxj n ARG 388 Ca 0.29 -1.19 -0.37 0.00 -0.01 0.00 0.00 57.85 56.57 3dxj n ARG 388 Cb 1.25 -1.07 0.02 0.00 0.00 0.00 0.00 32.46 32.66 3dxj n ARG 388 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3dxj s SER 389 N -0.65 5.51 0.30 0.55 0.15 0.96 -4.91 113.70 115.61 3dxj s SER 389 Ca 0.05 2.48 0.10 0.00 0.70 0.00 0.00 55.95 59.28 3dxj s SER 389 Cb 0.03 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.19 3dxj s SER 389 CO 0.04 -1.38 1.68 -0.61 1.20 0.00 0.00 173.24 174.17 3dxj h GLN 390 N 1.41 0.05 -0.60 5.44 4.15 -1.90 -2.55 115.11 121.11 3dxj h GLN 390 Ca -0.50 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3dxj h GLN 390 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 3dxj h GLN 390 CO 0.57 0.56 0.00 1.28 -1.93 0.00 0.00 178.83 179.31 3dxj n LEU 391 N -3.93 3.36 -4.32 -2.39 4.32 -1.26 -4.76 117.00 108.02 3dxj n LEU 391 Ca -0.02 -1.69 -0.34 0.00 -0.02 0.00 0.00 56.01 53.94 3dxj n LEU 391 Cb 0.54 -0.43 -0.14 0.00 -1.62 0.00 0.00 43.42 41.77 3dxj n LEU 391 CO 0.41 0.75 -0.40 -0.55 -1.22 0.00 0.00 177.39 176.38 3dxj s SER 392 N -0.94 4.21 0.03 -1.43 0.15 -0.96 -2.18 113.70 112.58 3dxj s SER 392 Ca 0.40 -0.38 -0.19 0.00 0.70 0.00 0.00 55.95 56.48 3dxj s SER 392 Cb 0.22 -1.71 0.04 0.00 -1.71 0.00 0.00 66.02 62.86 3dxj s SER 392 CO 0.24 0.02 0.42 0.00 1.20 0.00 0.00 173.24 175.12 3dxj s GLN 393 N 1.22 0.90 -0.03 5.44 -2.07 -0.02 -4.60 119.66 120.48 3dxj s GLN 393 Ca 0.02 -0.30 -0.39 0.00 -1.82 0.00 0.00 55.36 52.88 3dxj s GLN 393 Cb -0.14 0.40 -0.18 0.00 -1.09 0.00 0.00 33.01 32.00 3dxj s GLN 393 CO -0.02 -0.30 1.36 1.19 -1.32 0.00 0.00 175.29 176.20 3dxj n PHE 394 N 0.64 1.40 -1.71 9.60 3.72 -1.26 0.63 117.46 130.49 3dxj n PHE 394 Ca -0.19 0.76 -0.43 0.00 -0.05 0.00 0.00 57.45 57.54 3dxj n PHE 394 Cb 0.59 -2.29 -0.02 0.00 -0.94 0.00 0.00 39.48 36.83 3dxj n PHE 394 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3dxj n LYS 395 N 2.84 2.31 -2.65 -1.08 4.81 0.56 -4.66 118.16 120.29 3dxj n LYS 395 Ca 0.21 0.82 -0.43 0.00 -0.87 0.00 0.00 58.31 58.04 3dxj n LYS 395 Cb 0.14 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 32.68 3dxj n LYS 395 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3dxj n ASP 396 N 1.82 5.21 -2.70 3.14 -0.08 -1.26 -4.73 116.55 117.95 3dxj n ASP 396 Ca 0.09 -3.07 -0.34 0.00 -1.51 0.00 0.00 54.79 49.96 3dxj n ASP 396 Cb 0.34 -1.51 0.01 0.00 2.34 0.00 0.00 41.12 42.31 3dxj n ASP 396 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 3dxj n GLU 397 N 4.47 2.59 -0.23 -0.67 0.28 -1.26 0.21 120.64 126.03 3dxj n GLU 397 Ca 0.38 -3.03 -0.07 0.00 -0.16 0.00 0.00 57.16 54.27 3dxj n GLU 397 Cb 0.39 -2.20 0.04 0.00 1.43 0.00 0.00 31.44 31.09 3dxj n GLU 397 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3dxj h THR 398 N 1.90 1.25 -3.86 3.84 2.02 -1.88 -3.41 112.91 112.76 3dxj h THR 398 Ca 0.50 -0.85 -0.23 0.00 0.77 0.00 0.00 66.41 66.61 3dxj h THR 398 Cb 0.35 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 3dxj h THR 398 CO 1.23 0.33 -0.07 0.54 0.37 0.00 0.00 175.52 177.92 3dxj s ASN 399 N -6.26 0.77 0.00 4.18 2.20 -1.26 -4.44 114.94 110.12 3dxj s ASN 399 Ca -0.12 -1.44 0.00 0.00 -0.94 0.00 0.00 52.86 50.35 3dxj s ASN 399 Cb 0.14 0.72 0.00 0.00 -2.00 0.00 0.00 41.25 40.11 3dxj s ASN 399 CO 0.82 -1.42 0.75 -2.65 -2.94 0.00 0.00 177.10 171.65 3dxj n PRO 400 N -0.57 0.00 -0.03 3.55 -0.02 -1.26 -2.53 135.00 134.14 3dxj n PRO 400 Ca -0.01 0.28 -0.01 0.00 -2.02 0.00 0.00 63.50 61.74 3dxj n PRO 400 Cb 0.61 -1.26 -0.01 0.00 -0.02 0.00 0.00 33.50 32.83 3dxj n PRO 400 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3dxj n LEU 401 N -1.34 -0.06 -0.16 2.45 7.94 -1.26 0.54 117.00 125.10 3dxj n LEU 401 Ca 0.00 0.48 -0.04 0.00 -1.11 0.00 0.00 56.01 55.34 3dxj n LEU 401 Cb 0.00 -0.20 -0.04 0.00 0.53 0.00 0.00 43.42 43.71 3dxj n LEU 401 CO 0.00 -0.28 0.26 -1.54 -1.11 0.00 0.00 177.39 174.73 3dxj n SER 402 N -2.73 -0.40 0.22 1.96 3.41 -1.23 0.36 113.62 115.21 3dxj n SER 402 Ca 0.00 0.84 -0.15 0.00 -0.26 0.00 0.00 58.87 59.29 3dxj n SER 402 Cb 0.02 -0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 3dxj n SER 402 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dxj h SER 403 N 0.00 -0.43 -0.03 4.04 4.64 0.77 1.43 113.55 123.97 3dxj h SER 403 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3dxj h SER 403 Cb 0.16 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3dxj h SER 403 CO -0.36 -0.30 -0.04 0.25 -0.87 0.00 0.00 176.83 175.51 3dxj h LEU 404 N -0.53 -0.14 -1.55 5.97 5.85 0.70 0.43 115.31 126.04 3dxj h LEU 404 Ca -0.05 0.02 0.25 0.00 0.84 0.00 0.00 57.88 58.94 3dxj h LEU 404 Cb 0.40 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 3dxj h LEU 404 CO 0.09 -0.03 0.66 -0.09 -0.34 0.00 0.00 178.44 178.73 3dxj h ARG 405 N -0.03 0.31 -0.50 1.25 2.43 0.64 1.00 114.38 119.48 3dxj h ARG 405 Ca 0.01 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3dxj h ARG 405 Cb 0.04 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 3dxj h ARG 405 CO -0.05 0.20 0.19 1.25 -1.51 0.00 0.00 179.97 180.06 3dxj h HIS 406 N 0.32 0.33 -0.18 2.20 2.76 0.61 0.67 115.15 121.86 3dxj h HIS 406 Ca 0.53 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.65 3dxj h HIS 406 Cb 1.49 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.37 3dxj h HIS 406 CO -0.00 0.12 -0.24 0.87 -1.30 0.00 0.00 177.93 177.38 3dxj h LYS 407 N 0.37 0.33 -0.16 5.26 1.57 0.43 -2.38 116.57 121.99 3dxj h LYS 407 Ca 0.24 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3dxj h LYS 407 Cb 0.24 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3dxj h LYS 407 CO -0.23 0.55 0.00 -2.13 -0.57 0.00 0.00 179.45 177.07 3dxj n ARG 408 N -4.16 0.75 -2.92 3.15 0.63 0.20 -4.80 116.66 109.52 3dxj n ARG 408 Ca -0.01 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 3dxj n ARG 408 Cb 0.37 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.20 3dxj n ARG 408 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3dxj s ARG 409 N -1.79 3.29 0.02 -0.14 0.52 -0.90 0.80 118.95 120.75 3dxj s ARG 409 Ca 0.00 -0.20 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 3dxj s ARG 409 Cb 0.00 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 3dxj s ARG 409 CO 0.00 -0.20 -0.03 0.42 0.02 0.00 0.00 175.30 175.51 3dxj s ILE 410 N -2.60 0.12 0.24 1.52 1.09 0.45 -4.04 121.20 117.98 3dxj s ILE 410 Ca 0.47 -0.95 0.03 0.00 -1.10 0.00 0.00 60.65 59.10 3dxj s ILE 410 Cb -0.10 -0.33 -0.05 0.00 -1.06 0.00 0.00 42.46 40.91 3dxj s ILE 410 CO 0.40 -0.52 0.01 -0.55 -0.10 0.00 0.00 174.94 174.18 3dxj s SER 411 N -1.54 1.83 0.00 3.58 0.15 -0.90 -0.81 113.70 116.01 3dxj s SER 411 Ca -0.15 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.25 3dxj s SER 411 Cb -0.09 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 3dxj s SER 411 CO -0.01 -0.54 0.85 0.00 1.20 0.00 0.00 173.24 174.73 3dxj n ALA 412 N -0.45 1.75 -2.68 5.45 0.00 -0.99 0.15 120.51 123.73 3dxj n ALA 412 Ca -0.04 -0.85 -0.21 0.00 0.00 0.00 0.00 53.44 52.34 3dxj n ALA 412 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.08 3dxj n ALA 412 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dxj s LEU 413 N -0.71 4.08 0.00 0.00 1.43 -1.26 -4.38 118.68 117.84 3dxj s LEU 413 Ca 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3dxj s LEU 413 Cb 0.00 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3dxj s LEU 413 CO 0.00 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.89 3dxj n GLY 414 N -1.63 1.22 3.67 -3.19 0.00 -1.26 -4.94 105.19 99.07 3dxj n GLY 414 Ca -0.04 -0.84 -0.61 0.00 0.00 0.00 0.00 46.02 44.52 3dxj n GLY 414 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dxj n PRO 415 N 0.00 0.48 0.00 1.61 -0.02 -1.26 -4.74 135.00 131.06 3dxj n PRO 415 Ca 0.00 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3dxj n PRO 415 Cb 0.00 -1.74 0.01 0.00 -0.02 0.00 0.00 33.50 31.75 3dxj n PRO 415 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 416 N 3.38 -0.09 0.25 -1.23 0.00 -1.26 0.40 105.19 106.64 3dxj n GLY 416 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3dxj n GLY 416 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 417 N -0.48 0.00 0.35 -0.02 0.00 -1.26 -4.69 105.19 99.09 3dxj n GLY 417 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3dxj n GLY 417 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 418 N -2.09 1.00 -3.60 0.99 4.77 -0.83 -4.83 117.00 112.41 3dxj n LEU 418 Ca 0.00 -0.50 -0.07 0.00 -0.03 0.00 0.00 56.01 55.41 3dxj n LEU 418 Cb 0.23 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3dxj n LEU 418 CO 0.00 0.24 0.65 -0.89 -1.33 0.00 0.00 177.39 176.06 3dxj s THR 419 N -1.75 0.00 -0.05 -5.08 2.01 0.16 -4.75 115.64 106.18 3dxj s THR 419 Ca 0.12 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.51 3dxj s THR 419 Cb 0.06 -1.41 0.11 0.00 0.01 0.00 0.00 72.50 71.27 3dxj s THR 419 CO 0.08 0.00 1.11 -0.13 -0.69 0.00 0.00 174.62 174.99 3dxj s ARG 420 N -3.30 0.59 -0.33 4.92 0.52 -1.26 -4.33 118.95 115.76 3dxj s ARG 420 Ca 0.07 -0.27 0.09 0.00 -0.52 0.00 0.00 55.73 55.11 3dxj s ARG 420 Cb -0.01 0.24 0.68 0.00 0.52 0.00 0.00 34.95 36.38 3dxj s ARG 420 CO -0.05 -0.26 1.75 -1.91 0.02 0.00 0.00 175.30 174.85 3dxj n GLU 421 N -0.28 3.14 -2.96 3.54 2.13 -1.26 -4.85 120.64 120.10 3dxj n GLU 421 Ca -0.05 -3.07 -0.44 0.00 0.66 0.00 0.00 57.16 54.26 3dxj n GLU 421 Cb 0.61 -2.13 -0.04 0.00 0.27 0.00 0.00 31.44 30.15 3dxj n GLU 421 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3dxj s ARG 422 N -3.07 3.17 -0.99 5.31 0.52 -1.26 -4.96 118.95 117.67 3dxj s ARG 422 Ca 0.53 -1.16 -0.22 0.00 -0.52 0.00 0.00 55.73 54.35 3dxj s ARG 422 Cb 0.44 -4.34 -0.26 0.00 0.52 0.00 0.00 34.95 31.30 3dxj s ARG 422 CO 0.11 -1.71 2.48 0.00 0.02 0.00 0.00 175.30 176.20 3dxj n ALA 423 N 7.01 0.62 -2.06 2.13 0.00 -1.26 -4.79 120.51 122.17 3dxj n ALA 423 Ca -0.01 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 3dxj n ALA 423 Cb 0.45 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3dxj n ALA 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxj n GLY 424 N 6.11 4.65 0.00 0.00 0.00 -1.26 -4.87 105.19 109.82 3dxj n GLY 424 Ca 0.66 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3dxj n GLY 424 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dxj n PHE 425 N 4.57 0.00 0.30 1.61 7.35 -1.26 0.29 117.46 130.33 3dxj n PHE 425 Ca 0.47 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 57.33 3dxj n PHE 425 Cb 0.36 -0.24 0.72 0.00 0.35 0.00 0.00 39.48 40.67 3dxj n PHE 425 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 3dxj h ASP 426 N 0.00 0.00 1.50 -2.13 2.03 -1.98 -2.87 116.42 112.96 3dxj h ASP 426 Ca 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 3dxj h ASP 426 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3dxj h ASP 426 CO 0.00 0.00 -0.41 0.58 -1.03 0.00 0.00 179.24 178.38 3dxj h VAL 427 N 0.00 0.73 0.00 4.15 2.07 0.40 -2.81 116.25 120.78 3dxj h VAL 427 Ca 0.00 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.57 3dxj h VAL 427 Cb 0.41 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3dxj h VAL 427 CO 0.00 0.40 -0.12 0.03 0.02 0.00 0.00 177.57 177.90 3dxj h ARG 428 N 0.00 0.00 -7.12 1.57 3.08 -1.42 -3.47 114.38 107.03 3dxj h ARG 428 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 3dxj h ARG 428 Cb 1.27 0.00 0.21 0.00 0.08 0.00 0.00 29.97 31.53 3dxj h ARG 428 CO 0.05 0.00 -0.05 -0.25 -1.07 0.00 0.00 179.97 178.66 3dxj n ASP 429 N -2.66 -0.71 -4.36 7.04 8.00 -1.06 -4.56 116.55 118.24 3dxj n ASP 429 Ca 0.04 0.24 -0.46 0.00 0.71 0.00 0.00 54.79 55.32 3dxj n ASP 429 Cb 0.48 -1.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.21 3dxj n ASP 429 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dxj s VAL 430 N -2.52 5.41 0.48 2.53 0.11 -1.26 -5.04 120.40 120.11 3dxj s VAL 430 Ca 0.65 -2.28 -0.24 0.00 -2.93 0.00 0.00 61.98 57.18 3dxj s VAL 430 Cb -0.23 -4.55 -0.08 0.00 -1.53 0.00 0.00 36.38 30.00 3dxj s VAL 430 CO 0.62 -1.15 1.34 1.57 -3.33 0.00 0.00 175.10 174.15 3dxj n HIS 431 N 4.57 2.34 -0.20 1.54 -0.00 -1.26 -4.88 115.22 117.34 3dxj n HIS 431 Ca 0.17 0.45 -0.05 0.00 0.46 0.00 0.00 57.72 58.75 3dxj n HIS 431 Cb 0.47 -2.39 0.01 0.00 -0.12 0.00 0.00 29.99 27.96 3dxj n HIS 431 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 3dxj h ARG 432 N 1.91 -0.15 -0.68 1.57 0.11 -1.96 0.29 114.38 115.47 3dxj h ARG 432 Ca -0.50 0.01 0.20 0.00 0.10 0.00 0.00 59.98 59.79 3dxj h ARG 432 Cb 1.29 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 32.38 3dxj h ARG 432 CO 0.59 -0.10 0.82 1.79 0.10 0.00 0.00 179.97 183.17 3dxj h THR 433 N -0.16 0.16 0.00 0.08 1.35 -1.93 0.34 112.91 112.75 3dxj h THR 433 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 3dxj h THR 433 Cb 0.54 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 3dxj h THR 433 CO -0.66 0.00 0.31 0.45 -0.25 0.00 0.00 175.52 175.37 3dxj h HIS 434 N 0.00 0.00 -1.12 4.73 3.86 -0.76 -3.41 115.15 118.45 3dxj h HIS 434 Ca 0.32 0.00 -0.78 0.00 -1.16 0.00 0.00 60.37 58.75 3dxj h HIS 434 Cb 1.97 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.44 3dxj h HIS 434 CO 0.00 0.00 0.96 0.98 0.86 0.00 0.00 177.93 180.73 3dxj n TYR 435 N -2.87 1.80 -1.32 2.45 9.36 0.12 -0.03 117.16 126.66 3dxj n TYR 435 Ca -0.02 0.72 -0.11 0.00 3.32 0.00 0.00 57.90 61.80 3dxj n TYR 435 Cb 0.36 -2.38 -0.05 0.00 -0.63 0.00 0.00 39.34 36.64 3dxj n TYR 435 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dxj n GLY 436 N 4.87 1.05 0.00 2.98 0.00 -1.26 -4.66 105.19 108.17 3dxj n GLY 436 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3dxj n GLY 436 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj n ARG 437 N -0.79 3.42 -3.90 1.61 1.74 0.95 -4.22 116.66 115.47 3dxj n ARG 437 Ca -0.11 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.83 3dxj n ARG 437 Cb 0.60 -0.97 -0.15 0.00 -1.02 0.00 0.00 32.46 30.92 3dxj n ARG 437 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dxj s ILE 438 N -1.94 0.08 -0.00 0.55 1.01 0.19 -2.49 121.20 118.59 3dxj s ILE 438 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 3dxj s ILE 438 Cb 0.00 -0.12 -0.07 0.00 0.01 0.00 0.00 42.46 42.29 3dxj s ILE 438 CO 0.00 0.06 1.71 0.00 0.00 0.00 0.00 174.94 176.71 3dxj n PRO 440 N 6.81 0.02 -0.03 0.00 -0.02 -1.26 -3.62 135.00 136.90 3dxj n PRO 440 Ca 0.17 0.25 -0.04 0.00 -2.02 0.00 0.00 63.50 61.86 3dxj n PRO 440 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 3dxj n PRO 440 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3dxj n VAL 441 N -1.48 0.38 -2.49 -1.45 3.14 -1.26 -4.99 118.33 110.18 3dxj n VAL 441 Ca 0.04 -0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 60.83 3dxj n VAL 441 Cb 0.15 -0.75 -0.02 0.00 -1.06 0.00 0.00 33.84 32.16 3dxj n VAL 441 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3dxj s GLU 442 N -2.13 4.06 -0.01 1.45 2.12 -1.24 -4.71 118.70 118.23 3dxj s GLU 442 Ca -0.08 1.32 -0.29 0.00 0.36 0.00 0.00 54.97 56.27 3dxj s GLU 442 Cb 0.02 -3.80 0.10 0.00 0.26 0.00 0.00 34.13 30.72 3dxj s GLU 442 CO 0.16 -0.93 0.97 -0.08 -0.54 0.00 0.00 175.26 174.84 3dxj s THR 443 N 3.90 0.00 0.32 -1.70 -1.32 -1.26 -3.55 115.64 112.03 3dxj s THR 443 Ca 0.52 -0.10 -0.28 0.00 -1.21 0.00 0.00 61.69 60.62 3dxj s THR 443 Cb -0.17 -1.18 -0.10 0.00 -1.51 0.00 0.00 72.50 69.54 3dxj s THR 443 CO 0.18 0.00 1.18 -2.16 -2.21 0.00 0.00 174.62 171.61 3dxj s PRO 444 N -3.00 4.43 -0.27 7.08 0.04 -1.25 -4.91 135.00 137.12 3dxj s PRO 444 Ca 0.07 1.93 -0.23 0.00 0.04 0.00 0.00 61.00 62.81 3dxj s PRO 444 Cb -0.01 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 3dxj s PRO 444 CO -0.07 -0.02 0.76 -2.00 0.04 0.00 0.00 177.00 175.72 3dxj s GLU 445 N -1.74 4.09 0.00 4.56 2.12 -1.26 -3.45 118.70 123.02 3dxj s GLU 445 Ca 0.48 0.72 0.00 0.00 0.36 0.00 0.00 54.97 56.54 3dxj s GLU 445 Cb -0.34 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.38 3dxj s GLU 445 CO 0.44 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 3dxj n GLY 446 N 4.01 1.04 0.05 -1.50 0.00 -1.26 -4.82 105.19 102.71 3dxj n GLY 446 Ca 0.03 -2.07 0.01 0.00 0.00 0.00 0.00 46.02 43.99 3dxj n GLY 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj n ALA 447 N -1.02 0.36 -0.24 4.61 0.00 -1.26 0.21 120.51 123.17 3dxj n ALA 447 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.57 3dxj n ALA 447 Cb 0.00 -0.39 0.31 0.00 0.00 0.00 0.00 19.45 19.37 3dxj n ALA 447 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dxj n ASN 448 N -1.40 3.85 -4.70 0.00 3.02 -1.26 -4.94 115.26 109.82 3dxj n ASN 448 Ca -0.00 -2.08 -0.44 0.00 -0.03 0.00 0.00 54.58 52.03 3dxj n ASN 448 Cb 0.37 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 3dxj n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dxj n ILE 449 N 1.42 0.32 -1.71 2.41 3.06 0.58 -1.79 119.36 123.65 3dxj n ILE 449 Ca 0.23 -0.08 -0.19 0.00 -2.50 0.00 0.00 62.75 60.21 3dxj n ILE 449 Cb 0.63 -1.75 -0.07 0.00 0.54 0.00 0.00 39.64 38.99 3dxj n ILE 449 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3dxj n GLY 450 N 3.19 1.40 0.03 4.50 0.00 -1.26 -4.72 105.19 108.33 3dxj n GLY 450 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3dxj n GLY 450 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 451 N -2.40 0.00 -4.19 0.99 4.77 -0.74 -4.21 117.00 111.22 3dxj n LEU 451 Ca -0.20 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.51 3dxj n LEU 451 Cb 0.64 0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.71 3dxj n LEU 451 CO 0.29 0.14 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.34 3dxj s ILE 452 N -2.16 1.57 0.01 -0.08 1.01 -1.16 -2.36 121.20 118.04 3dxj s ILE 452 Ca -0.03 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.56 3dxj s ILE 452 Cb 0.02 -1.32 0.05 0.00 0.01 0.00 0.00 42.46 41.22 3dxj s ILE 452 CO 0.25 0.45 0.53 0.28 0.00 0.00 0.00 174.94 176.44 3dxj s THR 453 N -0.28 0.03 0.25 2.92 -1.32 0.01 -3.92 115.64 113.33 3dxj s THR 453 Ca 0.03 -0.22 -0.04 0.00 -1.21 0.00 0.00 61.69 60.25 3dxj s THR 453 Cb -0.09 -0.93 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 3dxj s THR 453 CO 0.01 -0.12 0.50 -0.44 -2.21 0.00 0.00 174.62 172.35 3dxj s SER 454 N -1.67 6.44 0.47 8.08 0.01 -1.23 0.17 113.70 125.96 3dxj s SER 454 Ca -0.08 0.62 -0.24 0.00 1.31 0.00 0.00 55.95 57.57 3dxj s SER 454 Cb -0.01 -2.10 -0.07 0.00 0.21 0.00 0.00 66.02 64.04 3dxj s SER 454 CO 0.02 -0.13 1.29 -0.22 0.41 0.00 0.00 173.24 174.61 3dxj s LEU 455 N -3.40 4.04 1.16 2.44 2.96 0.24 -2.88 118.68 123.24 3dxj s LEU 455 Ca 0.42 2.61 -0.13 0.00 -0.22 0.00 0.00 54.13 56.82 3dxj s LEU 455 Cb -0.11 -4.11 0.28 0.00 0.50 0.00 0.00 46.19 42.75 3dxj s LEU 455 CO 0.29 -1.11 1.03 0.00 -1.32 0.00 0.00 176.35 175.24 3dxj s ALA 456 N -1.35 -0.44 0.00 5.97 0.00 -1.04 -4.01 121.76 120.90 3dxj s ALA 456 Ca 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3dxj s ALA 456 Cb -0.37 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3dxj s ALA 456 CO 0.45 -3.86 0.67 0.00 0.00 0.00 0.00 175.76 173.03 3dxj n ALA 457 N -4.94 -0.18 0.43 0.00 0.00 0.49 -3.74 120.51 112.58 3dxj n ALA 457 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.61 3dxj n ALA 457 Cb 0.54 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.46 3dxj n ALA 457 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3dxj h TYR 458 N 0.00 0.00 -1.37 0.00 -1.99 -1.80 -3.46 116.97 108.35 3dxj h TYR 458 Ca 0.00 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 60.10 3dxj h TYR 458 Cb 0.00 0.00 0.14 0.00 2.00 0.00 0.00 36.73 38.87 3dxj h TYR 458 CO 0.08 0.00 -0.76 0.00 -0.00 0.00 0.00 178.16 177.48 3dxj n ALA 459 N -1.86 -2.92 -3.12 3.88 0.00 -1.25 -4.80 120.51 110.44 3dxj n ALA 459 Ca 0.03 0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 3dxj n ALA 459 Cb 0.33 -1.50 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 3dxj n ALA 459 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dxj s ARG 460 N -0.98 0.45 -0.17 0.00 3.52 -0.96 -4.90 118.95 115.90 3dxj s ARG 460 Ca 0.60 -0.18 -0.03 0.00 -0.13 0.00 0.00 55.73 55.99 3dxj s ARG 460 Cb -0.75 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 32.82 3dxj s ARG 460 CO 0.59 -0.10 -0.06 0.08 -0.81 0.00 0.00 175.30 174.99 3dxj s VAL 461 N -0.98 3.47 0.45 7.11 1.01 -1.26 0.30 120.40 130.49 3dxj s VAL 461 Ca -0.11 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 3dxj s VAL 461 Cb -0.06 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 3dxj s VAL 461 CO 0.02 0.47 0.80 1.51 0.00 0.00 0.00 175.10 177.90 3dxj s ASP 462 N 0.81 6.43 0.00 3.32 1.47 0.16 -4.88 116.67 123.97 3dxj s ASP 462 Ca -0.02 1.12 0.00 0.00 1.18 0.00 0.00 52.55 54.82 3dxj s ASP 462 Cb -0.15 -2.32 0.00 0.00 -0.34 0.00 0.00 42.92 40.11 3dxj s ASP 462 CO 0.01 -0.49 0.49 -1.84 0.68 0.00 0.00 175.17 174.03 3dxj n GLU 463 N -1.68 0.00 -1.18 2.11 0.00 -1.26 0.26 120.64 118.89 3dxj n GLU 463 Ca 0.02 0.08 -0.20 0.00 0.00 0.00 0.00 57.16 57.06 3dxj n GLU 463 Cb 0.54 -1.81 0.16 0.00 0.00 0.00 0.00 31.44 30.32 3dxj n GLU 463 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3dxj n LEU 464 N -0.99 6.05 -2.85 -1.84 4.77 -1.26 -4.90 117.00 115.97 3dxj n LEU 464 Ca 0.00 -3.86 -0.12 0.00 -0.03 0.00 0.00 56.01 51.99 3dxj n LEU 464 Cb 0.31 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.62 3dxj n LEU 464 CO 0.00 1.26 -0.07 0.61 -1.33 0.00 0.00 177.39 177.87 3dxj n GLY 465 N -1.07 -0.49 3.61 -0.72 0.00 0.14 -4.85 105.19 101.80 3dxj n GLY 465 Ca 0.52 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 3dxj n GLY 465 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dxj s PHE 466 N -2.47 2.73 -0.15 1.61 0.08 -1.17 -1.68 117.98 116.93 3dxj s PHE 466 Ca 0.16 -0.17 -0.06 0.00 0.12 0.00 0.00 56.93 56.97 3dxj s PHE 466 Cb -0.09 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 3dxj s PHE 466 CO 0.20 0.50 0.07 0.42 -0.10 0.00 0.00 175.22 176.30 3dxj s ILE 467 N -1.60 4.86 0.28 0.64 1.01 -1.26 -0.67 121.20 124.46 3dxj s ILE 467 Ca 0.25 -0.02 0.12 0.00 0.00 0.00 0.00 60.65 61.00 3dxj s ILE 467 Cb -0.09 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 3dxj s ILE 467 CO 0.16 0.53 -0.19 -0.13 0.00 0.00 0.00 174.94 175.30 3dxj s ARG 468 N -0.21 1.68 -0.03 2.79 0.52 0.15 -3.98 118.95 119.86 3dxj s ARG 468 Ca 0.08 -1.78 0.02 0.00 -0.52 0.00 0.00 55.73 53.54 3dxj s ARG 468 Cb -0.12 -1.75 0.01 0.00 0.52 0.00 0.00 34.95 33.60 3dxj s ARG 468 CO 0.01 0.32 -0.08 0.99 0.02 0.00 0.00 175.30 176.56 3dxj s THR 469 N -2.52 0.75 0.71 0.02 2.01 -0.10 -2.28 115.64 114.22 3dxj s THR 469 Ca 0.30 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 3dxj s THR 469 Cb -0.05 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 71.81 3dxj s THR 469 CO 0.15 0.24 1.24 -2.84 -0.69 0.00 0.00 174.62 172.72 3dxj s PRO 470 N 0.30 2.24 -0.28 4.92 0.02 -1.25 -1.36 135.00 139.59 3dxj s PRO 470 Ca -0.05 1.89 -0.17 0.00 0.02 0.00 0.00 61.00 62.70 3dxj s PRO 470 Cb -0.09 -1.83 0.11 0.00 0.02 0.00 0.00 34.50 32.70 3dxj s PRO 470 CO 0.01 -1.79 0.82 0.71 -0.33 0.00 0.00 177.00 176.41 3dxj s TYR 471 N -1.75 -0.84 0.02 6.54 4.12 0.39 -4.47 117.35 121.36 3dxj s TYR 471 Ca 0.78 1.70 -0.19 0.00 0.02 0.00 0.00 57.07 59.38 3dxj s TYR 471 Cb -0.33 0.50 -0.06 0.00 -1.52 0.00 0.00 41.96 40.55 3dxj s TYR 471 CO 0.43 -0.42 0.53 -0.98 0.02 0.00 0.00 175.55 175.14 3dxj s ARG 472 N 1.42 4.19 0.18 -0.62 1.70 -1.05 0.71 118.95 125.49 3dxj s ARG 472 Ca -0.09 0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 55.51 3dxj s ARG 472 Cb -0.04 -3.28 -0.08 0.00 -0.57 0.00 0.00 34.95 30.97 3dxj s ARG 472 CO -0.17 0.52 1.26 0.50 -1.08 0.00 0.00 175.30 176.34 3dxj s ARG 473 N -0.66 4.43 0.01 3.89 6.06 -0.31 -2.51 118.95 129.85 3dxj s ARG 473 Ca 0.28 1.97 0.05 0.00 -2.50 0.00 0.00 55.73 55.53 3dxj s ARG 473 Cb -0.18 -3.22 -0.03 0.00 0.06 0.00 0.00 34.95 31.58 3dxj s ARG 473 CO 0.16 -0.20 -0.13 0.54 -2.50 0.00 0.00 175.30 173.18 3dxj s VAL 474 N 0.12 3.18 -0.25 7.11 0.11 -1.05 -2.11 120.40 127.52 3dxj s VAL 474 Ca 0.55 -0.93 -0.00 0.00 -2.93 0.00 0.00 61.98 58.67 3dxj s VAL 474 Cb -0.35 -2.34 0.07 0.00 -1.53 0.00 0.00 36.38 32.24 3dxj s VAL 474 CO 0.37 0.41 0.02 -0.69 -3.33 0.00 0.00 175.10 171.88 3dxj s VAL 475 N -0.91 1.13 0.00 2.04 1.01 -0.05 -4.88 120.40 118.74 3dxj s VAL 475 Ca 0.15 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3dxj s VAL 475 Cb -0.11 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3dxj s VAL 475 CO 0.05 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.46 3dxj n GLY 476 N 4.80 1.36 0.05 4.51 0.00 -1.26 0.93 105.19 115.57 3dxj n GLY 476 Ca -0.08 0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.22 3dxj n GLY 476 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 477 N 0.00 3.78 3.64 -0.02 0.00 -1.26 -3.99 105.19 107.33 3dxj n GLY 477 Ca 0.00 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 3dxj n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 478 N -1.93 5.19 -0.30 1.61 1.01 0.27 -2.60 120.40 123.64 3dxj s VAL 478 Ca 0.17 0.63 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 3dxj s VAL 478 Cb 0.15 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 3dxj s VAL 478 CO 0.02 0.20 0.74 -0.69 0.00 0.00 0.00 175.10 175.37 3dxj s VAL 479 N 1.71 4.85 0.15 2.92 1.01 -1.10 -0.87 120.40 129.06 3dxj s VAL 479 Ca 0.17 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.23 3dxj s VAL 479 Cb -0.15 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 3dxj s VAL 479 CO 0.09 -0.19 0.37 -0.89 0.00 0.00 0.00 175.10 174.48 3dxj s THR 480 N 2.83 5.18 -0.40 3.92 2.01 -0.90 -4.83 115.64 123.46 3dxj s THR 480 Ca 0.30 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.32 3dxj s THR 480 Cb -0.14 -3.64 0.47 0.00 0.01 0.00 0.00 72.50 69.20 3dxj s THR 480 CO 0.12 0.02 1.44 0.47 -0.69 0.00 0.00 174.62 175.98 3dxj n ASP 481 N 0.00 3.72 -4.37 3.53 8.00 -1.26 -4.33 116.55 121.85 3dxj n ASP 481 Ca -0.03 -2.81 -0.45 0.00 0.71 0.00 0.00 54.79 52.21 3dxj n ASP 481 Cb 0.52 -0.67 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 3dxj n ASP 481 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dxj s GLU 482 N -2.10 3.14 0.57 -1.24 2.12 -1.26 -5.02 118.70 114.92 3dxj s GLU 482 Ca 0.35 -1.53 -0.14 0.00 0.36 0.00 0.00 54.97 54.02 3dxj s GLU 482 Cb 0.28 -4.34 -0.05 0.00 0.26 0.00 0.00 34.13 30.28 3dxj s GLU 482 CO 0.08 -1.51 1.01 0.54 -0.54 0.00 0.00 175.26 174.85 3dxj s VAL 483 N 2.29 4.52 -0.15 3.70 0.11 -1.26 -1.16 120.40 128.45 3dxj s VAL 483 Ca 0.13 1.02 -0.06 0.00 -2.93 0.00 0.00 61.98 60.14 3dxj s VAL 483 Cb -0.22 -3.74 0.07 0.00 -1.53 0.00 0.00 36.38 30.96 3dxj s VAL 483 CO 0.03 -0.88 0.33 -0.69 -3.33 0.00 0.00 175.10 170.56 3dxj s VAL 484 N -2.87 -0.32 -0.27 2.04 1.01 0.22 -4.86 120.40 115.36 3dxj s VAL 484 Ca 0.58 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.54 3dxj s VAL 484 Cb -0.11 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 3dxj s VAL 484 CO 0.42 0.08 0.62 -0.31 0.00 0.00 0.00 175.10 175.92 3dxj s TYR 485 N 2.04 3.26 0.18 5.22 1.51 -1.25 -0.46 117.35 127.85 3dxj s TYR 485 Ca -0.04 0.75 0.10 0.00 -1.01 0.00 0.00 57.07 56.88 3dxj s TYR 485 Cb -0.11 -2.87 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 3dxj s TYR 485 CO -0.10 -0.36 -0.18 1.41 -1.11 0.00 0.00 175.55 175.20 3dxj s MET 486 N 2.52 1.75 0.54 -0.62 -2.45 -0.46 -4.72 119.30 115.85 3dxj s MET 486 Ca 0.26 -1.39 0.00 0.00 -1.25 0.00 0.00 55.69 53.31 3dxj s MET 486 Cb -0.15 -1.99 0.02 0.00 1.25 0.00 0.00 34.83 33.96 3dxj s MET 486 CO 0.09 0.42 0.77 0.95 1.05 0.00 0.00 175.02 178.31 3dxj s THR 487 N -1.60 3.05 0.15 10.11 -4.23 -1.26 -0.93 115.64 120.93 3dxj s THR 487 Ca 0.22 -0.56 -0.28 0.00 -1.18 0.00 0.00 61.69 59.88 3dxj s THR 487 Cb -0.09 -3.15 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 3dxj s THR 487 CO 0.12 -0.11 1.56 0.00 -0.54 0.00 0.00 174.62 175.64 3dxj h ALA 488 N 0.10 -0.51 0.28 3.99 0.00 -1.93 -3.04 119.26 118.15 3dxj h ALA 488 Ca -0.43 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3dxj h ALA 488 Cb 1.28 1.01 -0.02 0.00 0.00 0.00 0.00 17.79 20.07 3dxj h ALA 488 CO 0.55 -0.92 -0.35 1.79 0.00 0.00 0.00 179.25 180.32 3dxj h THR 489 N -0.30 0.00 -0.89 0.00 1.35 -1.95 -2.82 112.91 108.31 3dxj h THR 489 Ca 0.13 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.19 3dxj h THR 489 Cb 0.58 0.00 -0.17 0.00 -1.73 0.00 0.00 68.15 66.83 3dxj h THR 489 CO -0.64 0.00 -0.12 -0.33 -0.25 0.00 0.00 175.52 174.18 3dxj h GLU 490 N -0.64 0.02 -0.95 4.72 3.07 -1.96 -0.74 114.58 118.09 3dxj h GLU 490 Ca -0.03 -0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.96 3dxj h GLU 490 Cb 0.58 -0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.34 3dxj h GLU 490 CO -0.08 0.01 -0.44 1.49 -1.40 0.00 0.00 179.01 178.59 3dxj h GLU 491 N 0.02 -0.02 -0.05 2.33 4.81 -1.38 0.47 114.58 120.77 3dxj h GLU 491 Ca 0.47 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.71 3dxj h GLU 491 Cb 0.80 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 3dxj h GLU 491 CO -0.87 -0.02 0.28 -0.44 -0.73 0.00 0.00 179.01 177.23 3dxj h ASP 492 N -0.02 0.00 0.45 1.04 3.32 -1.08 1.48 116.42 121.61 3dxj h ASP 492 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3dxj h ASP 492 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3dxj h ASP 492 CO -0.95 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.11 3dxj n ARG 493 N -3.05 0.23 -4.61 3.56 1.74 0.17 -4.21 116.66 110.49 3dxj n ARG 493 Ca -0.01 0.10 -0.28 0.00 -0.77 0.00 0.00 57.85 56.89 3dxj n ARG 493 Cb 0.34 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 3dxj n ARG 493 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dxj s TYR 494 N -2.66 2.15 -0.27 -1.55 1.51 0.51 -5.04 117.35 111.99 3dxj s TYR 494 Ca 0.18 -0.88 -0.03 0.00 -1.01 0.00 0.00 57.07 55.33 3dxj s TYR 494 Cb 0.14 -1.56 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 3dxj s TYR 494 CO 0.32 0.22 -0.01 0.99 -1.11 0.00 0.00 175.55 175.96 3dxj s THR 495 N -2.93 3.21 -0.10 -0.71 2.01 -1.26 -2.92 115.64 112.93 3dxj s THR 495 Ca 0.26 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.28 3dxj s THR 495 Cb 0.07 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.91 3dxj s THR 495 CO 0.13 0.10 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.35 3dxj s ILE 496 N 1.36 1.64 0.43 1.82 1.01 -0.38 -2.08 121.20 125.01 3dxj s ILE 496 Ca -0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 3dxj s ILE 496 Cb -0.17 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 3dxj s ILE 496 CO -0.02 0.47 0.75 0.00 0.00 0.00 0.00 174.94 176.14 3dxj s ALA 497 N 0.77 3.42 0.51 9.38 0.00 0.16 0.22 121.76 136.22 3dxj s ALA 497 Ca -0.11 -0.43 -0.21 0.00 0.00 0.00 0.00 51.96 51.21 3dxj s ALA 497 Cb -0.16 -2.58 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 3dxj s ALA 497 CO 0.01 -0.17 1.18 -0.65 0.00 0.00 0.00 175.76 176.13 3dxj s GLN 498 N -4.32 3.46 0.04 0.00 -1.52 0.31 -1.42 119.66 116.21 3dxj s GLN 498 Ca 0.48 1.77 -0.21 0.00 -1.95 0.00 0.00 55.36 55.45 3dxj s GLN 498 Cb -0.10 -2.19 -0.14 0.00 -0.22 0.00 0.00 33.01 30.35 3dxj s GLN 498 CO 0.39 -0.80 1.37 0.00 -0.25 0.00 0.00 175.29 175.99 3dxj h ALA 499 N 1.55 0.20 0.00 6.09 0.00 -1.90 -3.15 119.26 122.05 3dxj h ALA 499 Ca -0.50 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3dxj h ALA 499 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dxj h ALA 499 CO 0.58 0.04 0.19 0.27 0.00 0.00 0.00 179.25 180.33 3dxj n ASN 500 N -4.61 0.37 -4.51 0.00 6.94 -1.26 -4.81 115.26 107.38 3dxj n ASN 500 Ca -0.06 0.60 -0.56 0.00 -0.02 0.00 0.00 54.58 54.53 3dxj n ASN 500 Cb 0.33 -0.59 -0.07 0.00 -2.36 0.00 0.00 39.78 37.09 3dxj n ASN 500 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3dxj n THR 501 N -2.03 0.26 -1.49 5.53 -1.04 -1.19 -4.85 114.28 109.46 3dxj n THR 501 Ca -0.01 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.53 3dxj n THR 501 Cb 0.21 -0.15 0.02 0.00 -1.82 0.00 0.00 70.33 68.58 3dxj n THR 501 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3dxj n PRO 502 N 1.60 0.72 -3.70 -2.82 -0.02 -1.26 -4.94 135.00 124.57 3dxj n PRO 502 Ca 0.19 0.26 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 3dxj n PRO 502 Cb 0.12 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 3dxj n PRO 502 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dxj s LEU 503 N 0.96 -0.25 -0.21 2.45 2.96 -1.26 -2.81 118.68 120.52 3dxj s LEU 503 Ca 0.65 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.11 3dxj s LEU 503 Cb -0.55 2.52 0.10 0.00 0.50 0.00 0.00 46.19 48.75 3dxj s LEU 503 CO 0.57 -1.16 0.26 -1.83 -1.32 0.00 0.00 176.35 172.86 3dxj s GLU 504 N -3.86 0.22 0.00 1.98 -1.05 0.22 -4.81 118.70 111.40 3dxj s GLU 504 Ca 0.08 0.30 0.00 0.00 -0.15 0.00 0.00 54.97 55.20 3dxj s GLU 504 Cb -0.03 -0.99 0.00 0.00 -0.44 0.00 0.00 34.13 32.67 3dxj s GLU 504 CO -0.01 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 175.98 3dxj n GLY 505 N 5.33 -0.04 0.00 -3.83 0.00 -1.26 0.39 105.19 105.77 3dxj n GLY 505 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3dxj n GLY 505 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dxj n ASN 506 N 0.66 0.00 -4.77 1.61 3.02 -1.26 -4.90 115.26 109.62 3dxj n ASN 506 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 3dxj n ASN 506 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3dxj n ASN 506 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dxj s ARG 507 N -0.82 4.15 0.75 3.52 3.00 0.16 -2.70 118.95 127.01 3dxj s ARG 507 Ca 0.00 2.35 -0.11 0.00 0.00 0.00 0.00 55.73 57.96 3dxj s ARG 507 Cb 0.00 -2.95 0.05 0.00 0.00 0.00 0.00 34.95 32.05 3dxj s ARG 507 CO 0.00 -0.41 1.13 0.42 0.00 0.00 0.00 175.30 176.43 3dxj s ILE 508 N -1.16 2.74 -0.54 1.52 1.01 -1.07 0.70 121.20 124.41 3dxj s ILE 508 Ca 0.53 0.22 0.06 0.00 0.00 0.00 0.00 60.65 61.45 3dxj s ILE 508 Cb -0.42 -3.23 0.21 0.00 0.01 0.00 0.00 42.46 39.03 3dxj s ILE 508 CO 0.56 -0.31 0.53 0.00 0.00 0.00 0.00 174.94 175.73 3dxj n ALA 509 N -3.14 3.20 0.00 9.38 0.00 -1.12 -4.68 120.51 124.15 3dxj n ALA 509 Ca 0.07 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.55 3dxj n ALA 509 Cb 0.59 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3dxj n ALA 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n ALA 510 N 1.72 0.00 -0.01 0.00 0.00 -1.26 -4.77 120.51 116.19 3dxj n ALA 510 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 3dxj n ALA 510 Cb 0.44 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.05 3dxj n ALA 510 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3dxj h GLU 511 N 0.00 0.55 -6.37 0.00 5.08 -1.96 -3.41 114.58 108.47 3dxj h GLU 511 Ca 0.00 -0.23 -0.61 0.00 -1.00 0.00 0.00 59.36 57.52 3dxj h GLU 511 Cb 0.00 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.10 3dxj h GLU 511 CO 0.00 0.79 -0.70 1.03 -1.00 0.00 0.00 179.01 179.13 3dxj s ARG 512 N -4.42 2.16 0.02 2.33 1.81 -1.26 -3.54 118.95 116.05 3dxj s ARG 512 Ca -0.07 -1.28 0.01 0.00 -1.72 0.00 0.00 55.73 52.67 3dxj s ARG 512 Cb 0.13 -2.19 -0.02 0.00 -0.45 0.00 0.00 34.95 32.43 3dxj s ARG 512 CO 0.81 0.42 -0.04 0.08 -0.68 0.00 0.00 175.30 175.89 3dxj s VAL 513 N -1.85 0.29 -0.39 3.52 1.01 0.73 -4.79 120.40 118.92 3dxj s VAL 513 Ca 0.27 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 3dxj s VAL 513 Cb -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3dxj s VAL 513 CO 0.17 -0.27 0.75 0.68 0.00 0.00 0.00 175.10 176.43 3dxj s VAL 514 N -0.97 4.74 0.28 2.92 -7.23 -1.26 0.17 120.40 119.05 3dxj s VAL 514 Ca -0.08 0.69 0.01 0.00 -1.81 0.00 0.00 61.98 60.78 3dxj s VAL 514 Cb -0.07 -4.22 -0.02 0.00 0.56 0.00 0.00 36.38 32.63 3dxj s VAL 514 CO -0.00 -0.49 0.28 0.00 -0.31 0.00 0.00 175.10 174.58 3dxj s ALA 515 N 3.08 1.20 -0.05 1.32 0.00 0.05 0.11 121.76 127.47 3dxj s ALA 515 Ca 0.29 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 3dxj s ALA 515 Cb -0.13 1.35 0.03 0.00 0.00 0.00 0.00 23.12 24.36 3dxj s ALA 515 CO 0.18 -0.68 0.00 -0.98 0.00 0.00 0.00 175.76 174.28 3dxj s ARG 516 N -3.67 0.44 -0.38 0.00 1.70 0.61 -0.66 118.95 116.99 3dxj s ARG 516 Ca 0.36 0.11 -0.14 0.00 -0.47 0.00 0.00 55.73 55.59 3dxj s ARG 516 Cb 0.03 -0.74 0.00 0.00 -0.57 0.00 0.00 34.95 33.67 3dxj s ARG 516 CO 0.19 -0.23 0.30 1.03 -1.08 0.00 0.00 175.30 175.51 3dxj s ARG 517 N 1.60 3.24 -1.45 3.89 0.52 -1.04 -1.24 118.95 124.46 3dxj s ARG 517 Ca -0.01 -0.79 -0.08 0.00 -0.52 0.00 0.00 55.73 54.33 3dxj s ARG 517 Cb -0.13 -3.90 0.01 0.00 0.52 0.00 0.00 34.95 31.45 3dxj s ARG 517 CO -0.03 -0.63 0.22 0.36 0.02 0.00 0.00 175.30 175.24 3dxj n LYS 518 N 5.21 -1.16 -2.00 3.54 2.85 -1.15 -0.13 118.16 125.33 3dxj n LYS 518 Ca -0.11 0.14 -0.02 0.00 -1.05 0.00 0.00 58.31 57.28 3dxj n LYS 518 Cb 0.48 -3.52 -0.00 0.00 -0.65 0.00 0.00 35.03 31.34 3dxj n LYS 518 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dxj n GLY 519 N -2.38 0.31 3.35 2.58 0.00 -1.26 -5.00 105.19 102.80 3dxj n GLY 519 Ca -0.28 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 3dxj n GLY 519 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 520 N -4.02 3.18 -0.60 1.61 0.41 0.82 -5.03 118.70 115.06 3dxj s GLU 520 Ca 0.00 -0.80 -0.26 0.00 -0.41 0.00 0.00 54.97 53.50 3dxj s GLU 520 Cb 0.00 -3.35 -0.05 0.00 -1.78 0.00 0.00 34.13 28.95 3dxj s GLU 520 CO 0.00 -0.40 2.13 -2.14 -0.49 0.00 0.00 175.26 174.36 3dxj s PRO 521 N 1.51 2.33 0.07 0.39 0.02 -1.26 -2.50 135.00 135.57 3dxj s PRO 521 Ca 0.03 0.84 0.00 0.00 0.02 0.00 0.00 61.00 61.89 3dxj s PRO 521 Cb -0.17 -4.55 -0.04 0.00 0.02 0.00 0.00 34.50 29.76 3dxj s PRO 521 CO 0.02 -3.14 -0.04 0.08 -0.33 0.00 0.00 177.00 173.59 3dxj s VAL 522 N 10.85 0.42 -0.15 3.83 1.01 0.16 -5.02 120.40 131.50 3dxj s VAL 522 Ca 0.81 -1.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 3dxj s VAL 522 Cb -0.14 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3dxj s VAL 522 CO 0.20 -0.94 0.04 -0.51 0.00 0.00 0.00 175.10 173.89 3dxj s ILE 523 N -3.80 4.57 -0.16 2.22 2.07 -1.25 -0.77 121.20 124.09 3dxj s ILE 523 Ca 0.09 -0.12 -0.11 0.00 -1.41 0.00 0.00 60.65 59.10 3dxj s ILE 523 Cb 0.07 -3.01 0.05 0.00 0.13 0.00 0.00 42.46 39.69 3dxj s ILE 523 CO -0.08 0.51 0.39 0.68 -1.91 0.00 0.00 174.94 174.54 3dxj s VAL 524 N -0.05 -0.01 0.43 4.00 -7.23 0.44 -4.81 120.40 113.17 3dxj s VAL 524 Ca 0.05 0.05 -0.26 0.00 -1.81 0.00 0.00 61.98 60.01 3dxj s VAL 524 Cb -0.12 -0.57 -0.09 0.00 0.56 0.00 0.00 36.38 36.16 3dxj s VAL 524 CO 0.01 0.02 1.44 -0.94 -0.31 0.00 0.00 175.10 175.33 3dxj s SER 525 N 0.83 6.00 0.00 4.85 1.04 -1.24 0.26 113.70 125.44 3dxj s SER 525 Ca -0.05 2.95 0.00 0.00 0.48 0.00 0.00 55.95 59.33 3dxj s SER 525 Cb -0.06 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3dxj s SER 525 CO -0.06 -1.09 0.32 -2.65 0.98 0.00 0.00 173.24 170.73 3dxj n PRO 526 N -0.02 0.00 -0.16 4.02 -0.02 -1.23 -1.72 135.00 135.87 3dxj n PRO 526 Ca 0.04 0.32 -0.04 0.00 -2.02 0.00 0.00 63.50 61.80 3dxj n PRO 526 Cb 0.41 -0.50 -0.04 0.00 -0.02 0.00 0.00 33.50 33.35 3dxj n PRO 526 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dxj n GLU 527 N -1.91 -0.17 -0.58 -0.52 4.71 -1.26 0.20 120.64 121.11 3dxj n GLU 527 Ca 0.00 0.64 0.47 0.00 -0.01 0.00 0.00 57.16 58.27 3dxj n GLU 527 Cb 0.00 -0.95 0.76 0.00 -1.01 0.00 0.00 31.44 30.24 3dxj n GLU 527 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3dxj h GLU 528 N 0.00 0.00 -6.67 3.49 5.08 -1.66 -3.42 114.58 111.40 3dxj h GLU 528 Ca 0.06 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.88 3dxj h GLU 528 Cb 0.16 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.48 3dxj h GLU 528 CO -0.36 0.00 0.89 0.28 -1.00 0.00 0.00 179.01 178.82 3dxj n VAL 529 N -3.86 0.46 -0.10 3.13 0.31 0.53 -4.92 118.33 113.88 3dxj n VAL 529 Ca 0.39 -0.11 -0.20 0.00 -0.01 0.00 0.00 64.34 64.40 3dxj n VAL 529 Cb 1.84 -1.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.85 3dxj n VAL 529 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3dxj n GLU 530 N 3.05 0.43 -3.88 5.55 1.02 -1.04 -4.74 120.64 121.03 3dxj n GLU 530 Ca 0.13 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.37 3dxj n GLU 530 Cb 0.34 -1.22 -0.08 0.00 -0.02 0.00 0.00 31.44 30.46 3dxj n GLU 530 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3dxj s PHE 531 N -2.42 0.16 0.07 -0.32 0.40 -0.88 -2.53 117.98 112.46 3dxj s PHE 531 Ca -0.28 -0.54 0.05 0.00 -0.60 0.00 0.00 56.93 55.57 3dxj s PHE 531 Cb 0.10 -0.08 -0.03 0.00 0.51 0.00 0.00 43.02 43.52 3dxj s PHE 531 CO 0.35 -0.49 -0.14 1.41 0.70 0.00 0.00 175.22 177.05 3dxj s MET 532 N -3.46 0.84 0.36 0.44 1.75 -1.05 0.36 119.30 118.53 3dxj s MET 532 Ca 0.02 -0.94 -0.28 0.00 -1.25 0.00 0.00 55.69 53.23 3dxj s MET 532 Cb 0.03 -0.86 -0.12 0.00 2.84 0.00 0.00 34.83 36.73 3dxj s MET 532 CO -0.09 0.19 1.42 -0.25 -0.65 0.00 0.00 175.02 175.64 3dxj n ASP 533 N 1.33 3.40 -0.04 1.11 8.00 -0.51 -2.51 116.55 127.33 3dxj n ASP 533 Ca -0.21 1.21 -0.14 0.00 0.71 0.00 0.00 54.79 56.36 3dxj n ASP 533 Cb 0.54 -1.56 -0.11 0.00 -0.02 0.00 0.00 41.12 39.96 3dxj n ASP 533 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3dxj h VAL 534 N 2.83 1.57 -3.10 2.53 2.07 -1.93 -3.38 116.25 116.84 3dxj h VAL 534 Ca -0.49 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.22 3dxj h VAL 534 Cb 1.26 2.74 -0.10 0.00 -1.52 0.00 0.00 31.29 33.67 3dxj h VAL 534 CO 0.65 0.48 0.15 -0.55 0.02 0.00 0.00 177.57 178.32 3dxj s SER 535 N -6.11 -0.40 0.03 0.57 0.15 -1.26 -4.79 113.70 101.89 3dxj s SER 535 Ca -0.17 -0.29 -0.27 0.00 0.70 0.00 0.00 55.95 55.93 3dxj s SER 535 Cb 0.00 0.62 -0.17 0.00 -1.71 0.00 0.00 66.02 64.76 3dxj s SER 535 CO 0.71 -1.08 1.33 -0.65 1.20 0.00 0.00 173.24 174.76 3dxj h PRO 536 N 2.07 -0.55 -1.32 5.44 0.11 -1.94 -3.11 132.00 132.71 3dxj h PRO 536 Ca -0.29 0.04 0.47 0.00 0.11 0.00 0.00 66.00 66.33 3dxj h PRO 536 Cb 1.28 0.12 -0.15 0.00 0.11 0.00 0.00 31.00 32.37 3dxj h PRO 536 CO 0.35 -0.25 0.83 0.87 -0.21 0.00 0.00 178.00 179.58 3dxj h LYS 537 N -0.81 0.01 0.00 1.05 1.57 -1.94 0.58 116.57 117.03 3dxj h LYS 537 Ca -0.06 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3dxj h LYS 537 Cb 0.54 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3dxj h LYS 537 CO 0.10 0.00 0.13 -0.56 -0.57 0.00 0.00 179.45 178.55 3dxj h GLN 538 N 0.01 0.00 0.00 3.15 3.07 -1.94 -0.06 115.11 119.34 3dxj h GLN 538 Ca 0.88 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.58 3dxj h GLN 538 Cb 2.74 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 30.29 3dxj h GLN 538 CO -0.52 0.00 -0.72 0.28 0.09 0.00 0.00 178.83 177.96 3dxj h VAL 539 N 0.00 0.18 -2.01 1.86 2.07 -0.02 -3.32 116.25 115.01 3dxj h VAL 539 Ca 0.00 -1.31 -0.56 0.00 0.82 0.00 0.00 66.70 65.65 3dxj h VAL 539 Cb 0.26 1.84 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 3dxj h VAL 539 CO 0.00 0.11 -0.61 -0.36 0.02 0.00 0.00 177.57 176.73 3dxj s PHE 540 N -3.20 2.64 0.90 1.57 0.40 -0.04 -4.06 117.98 116.19 3dxj s PHE 540 Ca 0.02 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 3dxj s PHE 540 Cb 0.08 -1.42 0.13 0.00 0.51 0.00 0.00 43.02 42.32 3dxj s PHE 540 CO 0.75 0.49 1.10 -1.54 0.70 0.00 0.00 175.22 176.72 3dxj s SER 541 N -3.74 3.31 0.00 1.36 1.04 -1.26 0.18 113.70 114.60 3dxj s SER 541 Ca 0.34 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.56 3dxj s SER 541 Cb -0.03 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3dxj s SER 541 CO 0.20 -2.79 0.34 1.33 0.98 0.00 0.00 173.24 173.31 3dxj n VAL 542 N -4.01 0.00 0.16 5.02 0.24 -1.26 -1.25 118.33 117.24 3dxj n VAL 542 Ca 0.08 0.84 0.05 0.00 -2.04 0.00 0.00 64.34 63.28 3dxj n VAL 542 Cb 0.54 -1.55 0.29 0.00 -1.47 0.00 0.00 33.84 31.64 3dxj n VAL 542 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3dxj n ASN 543 N -0.54 0.27 -0.03 -1.34 6.94 -1.26 0.10 115.26 119.42 3dxj n ASN 543 Ca 0.00 0.50 -0.13 0.00 -0.02 0.00 0.00 54.58 54.92 3dxj n ASN 543 Cb 0.00 -0.40 -0.11 0.00 -2.36 0.00 0.00 39.78 36.91 3dxj n ASN 543 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3dxj h THR 544 N 0.00 1.47 0.00 5.53 2.02 -1.67 -3.00 112.91 117.26 3dxj h THR 544 Ca 0.00 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.68 3dxj h THR 544 Cb 0.77 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 3dxj h THR 544 CO 0.00 0.38 0.00 0.59 0.37 0.00 0.00 175.52 176.86 3dxj n ASN 545 N -4.79 0.03 -0.94 4.18 3.02 0.29 -1.68 115.26 115.36 3dxj n ASN 545 Ca -0.09 -0.41 0.11 0.00 -0.03 0.00 0.00 54.58 54.16 3dxj n ASN 545 Cb 0.32 -0.01 0.12 0.00 -0.61 0.00 0.00 39.78 39.60 3dxj n ASN 545 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dxj n LEU 546 N -0.38 2.99 -4.33 3.41 4.77 -1.13 -4.75 117.00 117.58 3dxj n LEU 546 Ca 0.00 -1.13 -0.46 0.00 -0.03 0.00 0.00 56.01 54.38 3dxj n LEU 546 Cb 0.01 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3dxj n LEU 546 CO 0.00 0.55 0.31 -0.63 -1.33 0.00 0.00 177.39 176.28 3dxj s ILE 547 N -1.74 5.37 0.78 -0.08 1.01 -0.68 -4.64 121.20 121.22 3dxj s ILE 547 Ca 0.29 -1.93 -0.15 0.00 0.00 0.00 0.00 60.65 58.86 3dxj s ILE 547 Cb 0.19 -4.42 0.04 0.00 0.01 0.00 0.00 42.46 38.28 3dxj s ILE 547 CO 0.28 -0.97 0.98 -0.81 0.00 0.00 0.00 174.94 174.43 3dxj n PRO 548 N 4.73 0.30 -1.01 2.79 -0.04 -1.26 -1.89 135.00 138.62 3dxj n PRO 548 Ca 0.00 0.16 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3dxj n PRO 548 Cb 0.44 -2.25 -0.00 0.00 -0.04 0.00 0.00 33.50 31.64 3dxj n PRO 548 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dxj n PHE 549 N -2.90 0.00 -0.30 0.54 3.72 -1.26 -4.84 117.46 112.41 3dxj n PHE 549 Ca 0.12 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.68 3dxj n PHE 549 Cb 0.50 -1.95 0.29 0.00 -0.94 0.00 0.00 39.48 37.39 3dxj n PHE 549 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3dxj n LEU 550 N -0.05 -0.05 -0.72 4.37 7.94 -0.79 -0.05 117.00 127.65 3dxj n LEU 550 Ca -0.00 1.50 0.00 0.00 -1.11 0.00 0.00 56.01 56.39 3dxj n LEU 550 Cb 0.48 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 43.86 3dxj n LEU 550 CO 0.01 -1.54 0.12 -1.84 -1.11 0.00 0.00 177.39 173.03 3dxj n GLU 551 N -5.25 0.33 -0.14 1.96 0.00 -1.26 -0.48 120.64 115.80 3dxj n GLU 551 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.39 3dxj n GLU 551 Cb 0.74 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.94 3dxj n GLU 551 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3dxj n HIS 552 N 0.55 0.00 -4.12 -1.84 8.25 0.93 -5.03 115.22 113.96 3dxj n HIS 552 Ca 0.00 -0.07 -0.27 0.00 -0.26 0.00 0.00 57.72 57.12 3dxj n HIS 552 Cb 0.12 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.04 3dxj n HIS 552 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3dxj s ASP 553 N -0.43 2.19 -0.27 0.41 1.11 0.37 0.39 116.67 120.44 3dxj s ASP 553 Ca 0.01 -0.34 -0.37 0.00 0.18 0.00 0.00 52.55 52.03 3dxj s ASP 553 Cb 0.01 -0.91 -0.13 0.00 1.07 0.00 0.00 42.92 42.96 3dxj s ASP 553 CO 0.00 -0.06 1.94 -0.67 1.18 0.00 0.00 175.17 177.55 3dxj n ASP 554 N 4.60 2.51 -0.20 0.27 2.03 0.61 -4.72 116.55 121.65 3dxj n ASP 554 Ca -0.16 0.82 0.06 0.00 0.52 0.00 0.00 54.79 56.03 3dxj n ASP 554 Cb 0.50 -1.23 0.12 0.00 -0.72 0.00 0.00 41.12 39.80 3dxj n ASP 554 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dxj n ALA 555 N 7.24 0.21 -0.20 -1.67 0.00 -1.26 -0.60 120.51 124.23 3dxj n ALA 555 Ca 0.31 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.37 3dxj n ALA 555 Cb 0.20 -0.41 0.09 0.00 0.00 0.00 0.00 19.45 19.33 3dxj n ALA 555 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3dxj h ASN 556 N 0.00 -0.30 1.59 0.00 2.35 -1.94 -0.10 115.58 117.19 3dxj h ASN 556 Ca 0.31 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 3dxj h ASN 556 Cb 0.55 0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.19 3dxj h ASN 556 CO -0.56 -0.12 0.00 -0.09 -1.65 0.00 0.00 177.43 175.01 3dxj h ARG 557 N 0.10 0.00 -0.02 0.81 9.65 -1.12 -3.25 114.38 120.55 3dxj h ARG 557 Ca 0.31 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.17 3dxj h ARG 557 Cb 0.49 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3dxj h ARG 557 CO -0.52 0.00 -0.07 0.00 2.80 0.00 0.00 179.97 182.18 3dxj h ALA 558 N 2.37 0.04 -0.56 2.80 0.00 -0.71 -3.06 119.26 120.14 3dxj h ALA 558 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.62 3dxj h ALA 558 Cb 0.80 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3dxj h ALA 558 CO 0.00 -0.10 -0.37 1.25 0.00 0.00 0.00 179.25 180.03 3dxj h LEU 559 N -0.51 -1.34 -1.45 0.00 5.85 -1.32 1.20 115.31 117.74 3dxj h LEU 559 Ca -0.00 0.20 0.46 0.00 0.84 0.00 0.00 57.88 59.37 3dxj h LEU 559 Cb 0.70 0.58 -0.13 0.00 0.37 0.00 0.00 40.66 42.18 3dxj h LEU 559 CO 0.01 -0.17 0.90 0.24 -0.34 0.00 0.00 178.44 179.09 3dxj h MET 560 N -0.05 0.05 0.24 1.25 2.86 -1.66 0.99 114.93 118.62 3dxj h MET 560 Ca 0.09 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3dxj h MET 560 Cb 0.28 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3dxj h MET 560 CO -0.55 0.03 -0.17 0.78 1.06 0.00 0.00 176.91 178.06 3dxj h GLY 561 N 0.05 -0.73 0.00 8.32 0.00 0.15 -1.73 103.07 109.14 3dxj h GLY 561 Ca 0.85 0.31 0.00 0.00 0.00 0.00 0.00 47.33 48.49 3dxj h GLY 561 CO -0.40 -0.25 0.00 1.44 0.00 0.00 0.00 176.54 177.33 3dxj n SER 562 N -3.33 0.00 -0.21 0.19 7.64 0.34 -0.92 113.62 117.33 3dxj n SER 562 Ca -0.05 0.20 0.20 0.00 1.01 0.00 0.00 58.87 60.22 3dxj n SER 562 Cb 0.17 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.72 3dxj n SER 562 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3dxj n ASN 563 N -0.40 0.18 -0.05 6.43 4.13 -1.00 0.20 115.26 124.75 3dxj n ASN 563 Ca 0.00 0.90 -0.16 0.00 1.68 0.00 0.00 54.58 57.00 3dxj n ASN 563 Cb 0.00 -0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 37.74 3dxj n ASN 563 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 3dxj h MET 564 N 0.00 0.84 -0.84 3.52 2.86 -0.09 -2.58 114.93 118.64 3dxj h MET 564 Ca 0.49 -0.62 0.13 0.00 -2.06 0.00 0.00 59.70 57.64 3dxj h MET 564 Cb 1.37 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 33.08 3dxj h MET 564 CO -0.39 1.23 0.55 1.96 1.06 0.00 0.00 176.91 181.32 3dxj h GLN 565 N 0.60 0.65 -0.49 1.72 4.20 0.42 1.38 115.11 123.59 3dxj h GLN 565 Ca -0.02 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.71 3dxj h GLN 565 Cb 1.30 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.88 3dxj h GLN 565 CO 0.14 0.43 0.16 1.15 -0.67 0.00 0.00 178.83 180.05 3dxj h THR 566 N 0.67 0.82 0.00 -0.54 2.02 -1.13 0.12 112.91 114.86 3dxj h THR 566 Ca 0.41 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.48 3dxj h THR 566 Cb 0.65 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3dxj h THR 566 CO -0.17 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.78 3dxj n GLN 567 N -5.02 0.06 -2.02 6.66 6.02 0.46 -4.53 117.38 119.01 3dxj n GLN 567 Ca 0.05 0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.88 3dxj n GLN 567 Cb 0.20 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 3dxj n GLN 567 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dxj s ALA 568 N -2.85 3.65 -0.09 -1.58 0.00 0.40 -2.81 121.76 118.48 3dxj s ALA 568 Ca 0.08 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 3dxj s ALA 568 Cb 0.08 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 3dxj s ALA 568 CO 0.20 -0.73 0.01 0.54 0.00 0.00 0.00 175.76 175.78 3dxj s VAL 569 N 0.29 4.37 -0.17 0.00 0.11 -1.19 -4.44 120.40 119.37 3dxj s VAL 569 Ca 0.62 -0.22 -0.35 0.00 -2.93 0.00 0.00 61.98 59.10 3dxj s VAL 569 Cb -0.42 -2.84 -0.12 0.00 -1.53 0.00 0.00 36.38 31.47 3dxj s VAL 569 CO 0.40 0.60 1.95 -2.65 -3.33 0.00 0.00 175.10 172.07 3dxj n PRO 570 N 2.17 1.83 -2.91 1.54 -0.02 -1.26 -4.81 135.00 131.54 3dxj n PRO 570 Ca -0.19 0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 61.71 3dxj n PRO 570 Cb 0.54 -2.59 0.02 0.00 -0.02 0.00 0.00 33.50 31.45 3dxj n PRO 570 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dxj s LEU 571 N 4.94 3.56 -0.05 2.45 1.43 -1.26 -4.30 118.68 125.44 3dxj s LEU 571 Ca 0.97 0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 53.99 3dxj s LEU 571 Cb -0.74 -3.05 -0.19 0.00 0.03 0.00 0.00 46.19 42.24 3dxj s LEU 571 CO 0.52 -0.81 0.99 0.40 0.23 0.00 0.00 176.35 177.68 3dxj h ILE 572 N 0.34 1.19 -2.23 -0.59 2.04 -1.14 -3.29 117.51 113.83 3dxj h ILE 572 Ca -0.45 -1.33 -0.81 0.00 1.00 0.00 0.00 64.86 63.28 3dxj h ILE 572 Cb 1.27 1.99 -0.27 0.00 -0.74 0.00 0.00 36.82 39.07 3dxj h ILE 572 CO 0.55 0.31 1.08 0.54 0.00 0.00 0.00 178.15 180.63 3dxj n ARG 573 N -4.85 5.41 -2.02 2.37 1.74 -1.26 -5.02 116.66 113.03 3dxj n ARG 573 Ca -0.08 -4.63 -0.40 0.00 -0.77 0.00 0.00 57.85 51.96 3dxj n ARG 573 Cb 0.29 -2.48 -0.01 0.00 -1.02 0.00 0.00 32.46 29.25 3dxj n ARG 573 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dxj s ALA 574 N -4.21 3.43 0.17 7.54 0.00 -1.24 -4.84 121.76 122.61 3dxj s ALA 574 Ca 0.39 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.74 3dxj s ALA 574 Cb 0.19 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3dxj s ALA 574 CO -0.12 -0.81 -0.12 -0.65 0.00 0.00 0.00 175.76 174.06 3dxj s GLN 575 N -2.02 1.15 -0.00 0.00 -0.21 0.23 -4.76 119.66 114.05 3dxj s GLN 575 Ca 0.53 -1.49 -0.02 0.00 0.02 0.00 0.00 55.36 54.40 3dxj s GLN 575 Cb -0.41 -0.81 -0.04 0.00 1.00 0.00 0.00 33.01 32.75 3dxj s GLN 575 CO 0.54 0.12 0.15 0.00 -2.12 0.00 0.00 175.29 173.98 3dxj s ALA 576 N -3.13 3.85 0.66 6.09 0.00 -1.26 -3.32 121.76 124.65 3dxj s ALA 576 Ca 0.18 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 51.17 3dxj s ALA 576 Cb 0.01 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 3dxj s ALA 576 CO 0.03 0.73 0.76 -2.30 0.00 0.00 0.00 175.76 174.98 3dxj n PRO 577 N 0.98 0.55 0.25 0.00 -0.02 -1.26 -4.68 135.00 130.82 3dxj n PRO 577 Ca -0.11 0.23 0.16 0.00 -2.02 0.00 0.00 63.50 61.75 3dxj n PRO 577 Cb 0.53 -2.00 0.56 0.00 -0.02 0.00 0.00 33.50 32.57 3dxj n PRO 577 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3dxj h VAL 578 N 0.01 0.00 -3.25 -1.45 -1.51 -1.96 -3.40 116.25 104.68 3dxj h VAL 578 Ca -0.47 -0.58 -0.46 0.00 -1.23 0.00 0.00 66.70 63.96 3dxj h VAL 578 Cb 1.36 1.55 -0.38 0.00 -2.13 0.00 0.00 31.29 31.68 3dxj h VAL 578 CO 0.47 0.00 -0.77 0.54 -1.23 0.00 0.00 177.57 176.58 3dxj s VAL 579 N -3.52 0.49 0.38 7.19 0.11 -1.25 0.19 120.40 123.99 3dxj s VAL 579 Ca 0.03 -0.05 0.08 0.00 -2.93 0.00 0.00 61.98 59.11 3dxj s VAL 579 Cb 0.08 -0.69 -0.06 0.00 -1.53 0.00 0.00 36.38 34.18 3dxj s VAL 579 CO 0.55 0.19 0.03 -0.04 -3.33 0.00 0.00 175.10 172.51 3dxj s MET 580 N 1.92 2.02 0.18 1.54 1.00 -0.08 -4.87 119.30 121.00 3dxj s MET 580 Ca 0.04 -1.93 0.18 0.00 0.00 0.00 0.00 55.69 53.98 3dxj s MET 580 Cb -0.13 -1.80 -0.02 0.00 0.00 0.00 0.00 34.83 32.88 3dxj s MET 580 CO -0.06 0.02 1.09 1.79 0.00 0.00 0.00 175.02 177.86 3dxj h THR 581 N 1.75 0.44 0.00 2.05 1.35 -1.82 0.80 112.91 117.48 3dxj h THR 581 Ca -0.43 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.67 3dxj h THR 581 Cb 1.25 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 3dxj h THR 581 CO 0.73 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 3dxj n GLY 582 N 1.28 3.00 0.39 5.82 0.00 -1.26 -4.15 105.19 110.27 3dxj n GLY 582 Ca -0.04 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.48 3dxj n GLY 582 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dxj h LEU 583 N 0.00 0.00 0.00 0.99 3.38 -1.94 -3.32 115.31 114.42 3dxj h LEU 583 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dxj h LEU 583 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dxj h LEU 583 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3dxj n GLU 584 N -2.75 0.00 0.04 1.13 -0.58 -1.26 -0.94 120.64 116.27 3dxj n GLU 584 Ca 0.06 0.25 -0.10 0.00 -0.42 0.00 0.00 57.16 56.95 3dxj n GLU 584 Cb 1.11 -0.50 -0.04 0.00 -0.57 0.00 0.00 31.44 31.44 3dxj n GLU 584 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3dxj h GLU 585 N 0.00 -0.29 -1.12 3.49 4.81 -1.74 -2.07 114.58 117.67 3dxj h GLU 585 Ca 0.00 0.02 0.32 0.00 -0.13 0.00 0.00 59.36 59.57 3dxj h GLU 585 Cb 0.00 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 3dxj h GLU 585 CO 0.00 -0.19 0.80 -0.09 -0.73 0.00 0.00 179.01 178.80 3dxj h ARG 586 N -0.30 0.03 0.67 1.92 9.65 -1.63 -0.75 114.38 123.96 3dxj h ARG 586 Ca 0.07 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 3dxj h ARG 586 Cb 0.40 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.98 3dxj h ARG 586 CO -0.22 0.02 -0.32 0.28 2.80 0.00 0.00 179.97 182.53 3dxj h VAL 587 N 0.03 0.12 -0.95 0.20 2.07 -0.30 -2.83 116.25 114.60 3dxj h VAL 587 Ca 0.54 -0.31 0.14 0.00 0.82 0.00 0.00 66.70 67.90 3dxj h VAL 587 Cb 2.10 0.16 -0.15 0.00 -1.52 0.00 0.00 31.29 31.88 3dxj h VAL 587 CO -0.03 0.02 -0.40 -0.37 0.02 0.00 0.00 177.57 176.80 3dxj h VAL 588 N -1.17 0.02 -0.05 2.57 -1.51 -1.11 0.84 116.25 115.83 3dxj h VAL 588 Ca -0.09 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.38 3dxj h VAL 588 Cb 0.72 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 3dxj h VAL 588 CO 0.15 0.00 -0.08 0.03 -1.23 0.00 0.00 177.57 176.44 3dxj h ARG 589 N -0.02 -0.06 -0.75 5.19 3.08 -1.47 0.14 114.38 120.48 3dxj h ARG 589 Ca 0.32 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.53 3dxj h ARG 589 Cb 0.58 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 3dxj h ARG 589 CO -0.95 -0.04 0.50 -0.44 -1.07 0.00 0.00 179.97 177.97 3dxj h ASP 590 N -0.06 0.37 0.53 7.04 3.32 -0.72 0.16 116.42 127.04 3dxj h ASP 590 Ca 0.01 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3dxj h ASP 590 Cb 0.09 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3dxj h ASP 590 CO -0.08 0.19 -0.36 0.77 -1.72 0.00 0.00 179.24 178.04 3dxj h SER 591 N 0.39 0.00 -0.50 6.45 4.64 0.19 -3.45 113.55 121.28 3dxj h SER 591 Ca 0.37 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.63 3dxj h SER 591 Cb 0.88 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3dxj h SER 591 CO -0.11 0.36 -0.07 0.18 -0.87 0.00 0.00 176.83 176.31 3dxj n LEU 592 N -3.84 -1.21 -0.03 5.97 4.77 0.54 -4.99 117.00 118.22 3dxj n LEU 592 Ca -0.01 -0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 3dxj n LEU 592 Cb 0.43 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 3dxj n LEU 592 CO 0.37 -0.02 0.19 0.00 -1.33 0.00 0.00 177.39 176.60 3dxj h ALA 593 N 0.13 -0.06 -2.22 -1.18 0.00 -1.78 -3.47 119.26 110.69 3dxj h ALA 593 Ca -0.07 -0.19 -0.48 0.00 0.00 0.00 0.00 54.91 54.17 3dxj h ALA 593 Cb 1.05 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.90 3dxj h ALA 593 CO 0.08 -0.07 0.04 0.00 0.00 0.00 0.00 179.25 179.30 3dxj s ALA 594 N -2.67 3.50 -0.10 0.00 0.00 -1.26 -3.53 121.76 117.70 3dxj s ALA 594 Ca -0.08 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 3dxj s ALA 594 Cb -0.01 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 3dxj s ALA 594 CO 0.29 -0.47 0.03 -0.51 0.00 0.00 0.00 175.76 175.10 3dxj s LEU 595 N -4.73 3.73 0.48 0.00 1.43 0.49 -4.86 118.68 115.22 3dxj s LEU 595 Ca 0.49 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 3dxj s LEU 595 Cb -0.10 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 3dxj s LEU 595 CO 0.42 0.37 0.06 -0.31 0.23 0.00 0.00 176.35 177.12 3dxj s TYR 596 N -0.83 1.79 -0.31 0.29 1.51 -1.25 0.66 117.35 119.20 3dxj s TYR 596 Ca 0.13 -1.12 -0.13 0.00 -1.01 0.00 0.00 57.07 54.93 3dxj s TYR 596 Cb -0.12 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 3dxj s TYR 596 CO 0.02 -0.01 0.27 0.00 -1.11 0.00 0.00 175.55 174.72 3dxj s ALA 597 N -3.01 3.52 -2.00 3.71 0.00 0.37 -4.86 121.76 119.49 3dxj s ALA 597 Ca 0.10 -1.18 0.19 0.00 0.00 0.00 0.00 51.96 51.07 3dxj s ALA 597 Cb 0.01 -2.64 1.14 0.00 0.00 0.00 0.00 23.12 21.62 3dxj s ALA 597 CO 0.07 -0.82 1.55 -0.85 0.00 0.00 0.00 175.76 175.71 3dxj n GLU 598 N 5.18 0.68 -2.30 0.00 0.28 -1.26 0.26 120.64 123.48 3dxj n GLU 598 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3dxj n GLU 598 Cb 0.50 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.94 3dxj n GLU 598 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3dxj n GLU 599 N -0.94 0.05 -3.92 3.44 4.07 -1.26 -4.82 120.64 117.26 3dxj n GLU 599 Ca 0.14 -0.19 -0.21 0.00 -0.06 0.00 0.00 57.16 56.83 3dxj n GLU 599 Cb 0.07 0.31 -0.04 0.00 -0.06 0.00 0.00 31.44 31.72 3dxj n GLU 599 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 3dxj s ASP 600 N -1.64 5.39 0.00 4.31 -4.77 -1.25 -1.20 116.67 117.50 3dxj s ASP 600 Ca 0.07 -0.40 0.00 0.00 -3.30 0.00 0.00 52.55 48.92 3dxj s ASP 600 Cb -0.00 -1.14 0.00 0.00 -1.09 0.00 0.00 42.92 40.69 3dxj s ASP 600 CO 0.00 -0.23 0.00 0.61 0.70 0.00 0.00 175.17 176.25 3dxj n GLY 601 N -1.30 -0.52 3.44 2.12 0.00 0.14 -1.79 105.19 107.28 3dxj n GLY 601 Ca -0.04 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 3dxj n GLY 601 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dxj s GLU 602 N -1.70 2.07 -0.59 1.61 2.12 -0.94 0.59 118.70 121.87 3dxj s GLU 602 Ca 0.00 -0.97 -0.26 0.00 0.36 0.00 0.00 54.97 54.09 3dxj s GLU 602 Cb 0.00 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 3dxj s GLU 602 CO 0.00 0.54 1.97 0.08 -0.54 0.00 0.00 175.26 177.31 3dxj s VAL 603 N -0.89 3.29 0.00 3.70 1.01 0.15 -2.11 120.40 125.55 3dxj s VAL 603 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3dxj s VAL 603 Cb -0.10 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3dxj s VAL 603 CO 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 175.10 174.41 3dxj n ALA 604 N 13.36 0.00 -2.67 5.51 0.00 -0.40 0.17 120.51 136.47 3dxj n ALA 604 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.45 3dxj n ALA 604 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 3dxj n ALA 604 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dxj s LYS 605 N 0.00 2.59 -0.49 0.00 1.02 -1.01 -4.21 119.74 117.65 3dxj s LYS 605 Ca 0.00 -1.29 0.07 0.00 0.02 0.00 0.00 55.97 54.77 3dxj s LYS 605 Cb 0.00 -2.35 0.19 0.00 -0.52 0.00 0.00 37.83 35.15 3dxj s LYS 605 CO 0.00 0.30 0.67 0.14 -0.92 0.00 0.00 175.35 175.55 3dxj s VAL 606 N -2.27 -0.88 0.12 3.17 -7.23 -1.26 -0.80 120.40 111.25 3dxj s VAL 606 Ca 0.34 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 3dxj s VAL 606 Cb -0.06 -0.11 -0.04 0.00 0.56 0.00 0.00 36.38 36.73 3dxj s VAL 606 CO 0.23 -0.11 0.27 -0.62 -0.31 0.00 0.00 175.10 174.56 3dxj s ASP 607 N 1.00 6.35 0.07 4.85 2.15 0.87 -4.95 116.67 127.01 3dxj s ASP 607 Ca 0.27 0.23 0.01 0.00 0.43 0.00 0.00 52.55 53.49 3dxj s ASP 607 Cb -0.01 -1.94 0.07 0.00 -0.30 0.00 0.00 42.92 40.74 3dxj s ASP 607 CO -0.06 0.09 0.72 0.61 -0.17 0.00 0.00 175.17 176.35 3dxj n GLY 608 N -0.26 -0.20 0.06 2.66 0.00 -1.26 0.38 105.19 106.57 3dxj n GLY 608 Ca -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 3dxj n GLY 608 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dxj n ASN 609 N -1.29 1.08 -3.26 1.61 3.02 -1.26 -4.96 115.26 110.19 3dxj n ASN 609 Ca -0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 3dxj n ASN 609 Cb 0.39 1.18 0.01 0.00 -0.61 0.00 0.00 39.78 40.75 3dxj n ASN 609 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dxj s ARG 610 N -2.64 1.73 -0.06 3.52 1.04 0.16 -1.05 118.95 121.64 3dxj s ARG 610 Ca -0.07 -1.09 -0.04 0.00 -1.04 0.00 0.00 55.73 53.48 3dxj s ARG 610 Cb 0.07 0.50 0.03 0.00 -2.04 0.00 0.00 34.95 33.50 3dxj s ARG 610 CO 0.67 -0.81 0.16 0.42 -0.04 0.00 0.00 175.30 175.70 3dxj s ILE 611 N -2.49 -0.02 0.15 4.99 1.01 -1.10 -0.09 121.20 123.65 3dxj s ILE 611 Ca 0.17 0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.99 3dxj s ILE 611 Cb -0.04 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 3dxj s ILE 611 CO 0.08 0.03 -0.17 -0.69 0.00 0.00 0.00 174.94 174.19 3dxj s VAL 612 N 0.54 2.82 0.03 2.92 1.01 0.02 0.15 120.40 127.89 3dxj s VAL 612 Ca -0.04 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.23 3dxj s VAL 612 Cb -0.05 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3dxj s VAL 612 CO -0.03 -0.01 0.05 0.68 0.00 0.00 0.00 175.10 175.79 3dxj s VAL 613 N -1.43 0.13 -0.23 2.92 -7.23 -0.92 -1.27 120.40 112.37 3dxj s VAL 613 Ca 0.20 -1.07 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 3dxj s VAL 613 Cb -0.09 -0.71 -0.00 0.00 0.56 0.00 0.00 36.38 36.13 3dxj s VAL 613 CO 0.11 -0.59 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.69 3dxj s ARG 614 N -2.25 3.31 0.14 4.82 3.52 -0.89 -1.43 118.95 126.17 3dxj s ARG 614 Ca -0.08 -0.67 -0.19 0.00 -0.13 0.00 0.00 55.73 54.66 3dxj s ARG 614 Cb -0.04 -3.06 -0.07 0.00 -1.56 0.00 0.00 34.95 30.22 3dxj s ARG 614 CO -0.03 -0.24 0.63 0.71 -0.81 0.00 0.00 175.30 175.56 3dxj s TYR 615 N 1.47 3.73 0.00 5.12 1.51 0.21 -2.20 117.35 127.19 3dxj s TYR 615 Ca 0.05 1.30 0.00 0.00 -1.01 0.00 0.00 57.07 57.41 3dxj s TYR 615 Cb -0.15 -2.53 0.00 0.00 -0.11 0.00 0.00 41.96 39.17 3dxj s TYR 615 CO -0.02 0.48 0.00 -0.85 -1.11 0.00 0.00 175.55 174.04 3dxj n GLU 616 N 1.23 0.00 -0.35 -0.62 0.28 -0.74 0.23 120.64 120.68 3dxj n GLU 616 Ca -0.07 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.07 3dxj n GLU 616 Cb 0.51 0.00 0.34 0.00 1.43 0.00 0.00 31.44 33.72 3dxj n GLU 616 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 3dxj h ASP 617 N 0.00 0.75 0.00 -1.84 2.03 -1.94 -3.45 116.42 111.97 3dxj h ASP 617 Ca 0.00 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 3dxj h ASP 617 Cb 0.00 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 3dxj h ASP 617 CO 0.00 0.25 0.00 0.61 -1.03 0.00 0.00 179.24 179.07 3dxj n GLY 618 N -1.34 0.50 2.82 7.15 0.00 0.62 -5.16 105.19 109.78 3dxj n GLY 618 Ca 0.24 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 3dxj n GLY 618 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dxj s ARG 619 N 0.00 0.01 -0.91 1.61 0.52 -1.12 -4.88 118.95 114.18 3dxj s ARG 619 Ca 0.00 0.33 -0.06 0.00 -0.52 0.00 0.00 55.73 55.49 3dxj s ARG 619 Cb 0.00 -0.26 0.23 0.00 0.52 0.00 0.00 34.95 35.44 3dxj s ARG 619 CO 0.00 -0.21 0.83 -0.51 0.02 0.00 0.00 175.30 175.43 3dxj s LEU 620 N 1.43 5.90 -0.36 2.53 1.43 -1.23 0.66 118.68 129.03 3dxj s LEU 620 Ca -0.06 -3.44 -0.22 0.00 -1.03 0.00 0.00 54.13 49.39 3dxj s LEU 620 Cb -0.12 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.08 3dxj s LEU 620 CO -0.04 -0.29 0.70 -0.69 0.23 0.00 0.00 176.35 176.25 3dxj s VAL 621 N -0.96 4.82 -0.13 -1.59 1.01 -0.52 -4.78 120.40 118.25 3dxj s VAL 621 Ca 0.26 0.68 -0.26 0.00 0.00 0.00 0.00 61.98 62.66 3dxj s VAL 621 Cb -0.10 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3dxj s VAL 621 CO -0.09 -0.38 0.84 -0.70 0.00 0.00 0.00 175.10 174.76 3dxj s GLU 622 N 2.88 4.35 -0.65 2.72 -6.30 -1.26 -2.17 118.70 118.27 3dxj s GLU 622 Ca 0.27 1.06 -0.13 0.00 -2.50 0.00 0.00 54.97 53.67 3dxj s GLU 622 Cb -0.14 -3.54 0.17 0.00 0.00 0.00 0.00 34.13 30.62 3dxj s GLU 622 CO 0.16 -0.24 0.58 0.71 0.02 0.00 0.00 175.26 176.49 3dxj s TYR 623 N 1.81 3.49 0.72 5.30 4.12 0.40 -4.96 117.35 128.23 3dxj s TYR 623 Ca 0.40 -1.76 -0.16 0.00 0.02 0.00 0.00 57.07 55.57 3dxj s TYR 623 Cb -0.17 -3.72 -0.05 0.00 -1.52 0.00 0.00 41.96 36.50 3dxj s TYR 623 CO 0.15 -0.99 0.42 -2.30 0.02 0.00 0.00 175.55 172.85 3dxj n PRO 624 N 4.57 0.25 -4.06 -1.71 -0.02 -1.26 -2.72 135.00 130.05 3dxj n PRO 624 Ca -0.01 0.12 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 3dxj n PRO 624 Cb 0.43 -1.73 -0.15 0.00 -0.02 0.00 0.00 33.50 32.02 3dxj n PRO 624 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dxj s LEU 625 N 0.50 3.13 -0.64 2.45 2.96 -0.22 -4.84 118.68 122.02 3dxj s LEU 625 Ca 0.63 -1.25 -0.27 0.00 -0.22 0.00 0.00 54.13 53.03 3dxj s LEU 625 Cb -0.35 -1.49 -0.12 0.00 0.50 0.00 0.00 46.19 44.73 3dxj s LEU 625 CO 0.60 -0.16 2.48 -1.14 -1.32 0.00 0.00 176.35 176.81 3dxj n ARG 626 N 4.49 0.74 -0.22 1.98 0.63 -1.26 -4.82 116.66 118.20 3dxj n ARG 626 Ca -0.15 -0.06 -0.04 0.00 -0.92 0.00 0.00 57.85 56.69 3dxj n ARG 626 Cb 0.44 -2.95 0.03 0.00 0.45 0.00 0.00 32.46 30.42 3dxj n ARG 626 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3dxj n ARG 627 N 8.80 -0.39 -1.64 -0.14 1.85 -1.26 -2.61 116.66 121.26 3dxj n ARG 627 Ca 0.45 -0.26 -0.64 0.00 -1.00 0.00 0.00 57.85 56.41 3dxj n ARG 627 Cb 0.41 -0.18 -0.09 0.00 -1.05 0.00 0.00 32.46 31.54 3dxj n ARG 627 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3dxj n PHE 628 N -2.35 1.56 -3.93 2.89 3.01 -1.26 -4.44 117.46 112.94 3dxj n PHE 628 Ca 0.02 1.09 -0.10 0.00 1.01 0.00 0.00 57.45 59.47 3dxj n PHE 628 Cb 0.07 -2.11 -0.10 0.00 -0.01 0.00 0.00 39.48 37.33 3dxj n PHE 628 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3dxj s TYR 629 N 2.54 0.16 0.23 1.38 1.51 -1.15 -4.94 117.35 117.08 3dxj s TYR 629 Ca 0.99 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 56.40 3dxj s TYR 629 Cb -1.41 -0.12 -0.09 0.00 -0.11 0.00 0.00 41.96 40.23 3dxj s TYR 629 CO 0.76 -0.24 1.18 0.50 -1.11 0.00 0.00 175.55 176.63 3dxj s ARG 630 N -1.49 4.52 0.20 -0.62 6.06 -1.26 -1.12 118.95 125.24 3dxj s ARG 630 Ca -0.15 1.89 -0.02 0.00 -2.50 0.00 0.00 55.73 54.95 3dxj s ARG 630 Cb -0.08 -3.21 -0.05 0.00 0.06 0.00 0.00 34.95 31.67 3dxj s ARG 630 CO 0.00 -0.01 0.40 0.45 -2.50 0.00 0.00 175.30 173.65 3dxj s SER 631 N -0.25 6.41 0.23 -2.12 0.15 -0.69 -4.88 113.70 112.56 3dxj s SER 631 Ca 0.50 0.48 -0.06 0.00 0.70 0.00 0.00 55.95 57.56 3dxj s SER 631 Cb -0.33 -2.04 0.40 0.00 -1.71 0.00 0.00 66.02 62.34 3dxj s SER 631 CO 0.40 -0.04 1.70 -1.13 1.20 0.00 0.00 173.24 175.37 3dxj h ASN 632 N 2.16 0.07 0.29 5.45 -1.24 -1.86 2.05 115.58 122.49 3dxj h ASN 632 Ca -0.47 0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.66 3dxj h ASN 632 Cb 1.18 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.39 3dxj h ASN 632 CO 0.69 0.01 0.00 0.00 -1.29 0.00 0.00 177.43 176.84 3dxj n GLN 633 N -5.11 0.69 -0.91 6.67 1.13 -1.26 -4.89 117.38 113.69 3dxj n GLN 633 Ca 0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 3dxj n GLN 633 Cb 0.40 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.25 3dxj n GLN 633 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dxj n GLY 634 N 1.09 0.50 3.85 1.08 0.00 0.69 -5.03 105.19 107.38 3dxj n GLY 634 Ca 0.18 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3dxj n GLY 634 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dxj s THR 635 N -2.00 4.65 0.08 2.61 -4.23 -1.26 -3.16 115.64 112.33 3dxj s THR 635 Ca 0.00 0.97 -0.31 0.00 -1.18 0.00 0.00 61.69 61.18 3dxj s THR 635 Cb 0.00 -3.64 -0.06 0.00 1.34 0.00 0.00 72.50 70.14 3dxj s THR 635 CO 0.00 -0.31 1.25 0.00 -0.54 0.00 0.00 174.62 175.02 3dxj s ALA 636 N -2.14 3.45 -0.41 3.99 0.00 -1.22 -1.70 121.76 123.74 3dxj s ALA 636 Ca 0.55 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.46 3dxj s ALA 636 Cb -0.10 -3.47 0.12 0.00 0.00 0.00 0.00 23.12 19.67 3dxj s ALA 636 CO 0.21 -0.48 0.17 -0.51 0.00 0.00 0.00 175.76 175.15 3dxj s LEU 637 N 1.04 3.33 0.02 0.00 1.43 -0.27 -4.89 118.68 119.35 3dxj s LEU 637 Ca 0.60 -2.39 -0.04 0.00 -1.03 0.00 0.00 54.13 51.27 3dxj s LEU 637 Cb -0.32 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 3dxj s LEU 637 CO 0.30 -0.32 0.06 1.51 0.23 0.00 0.00 176.35 178.13 3dxj s ASP 638 N 0.61 0.18 0.16 2.29 -4.77 -1.26 -2.92 116.67 110.96 3dxj s ASP 638 Ca 0.14 -0.47 0.04 0.00 -3.30 0.00 0.00 52.55 48.97 3dxj s ASP 638 Cb -0.22 0.18 -0.04 0.00 -1.09 0.00 0.00 42.92 41.75 3dxj s ASP 638 CO -0.07 -0.42 0.18 -1.10 0.70 0.00 0.00 175.17 174.46 3dxj s GLN 639 N -2.04 3.05 -0.02 2.11 -0.21 -1.07 -2.85 119.66 118.63 3dxj s GLN 639 Ca -0.10 -0.80 0.01 0.00 0.02 0.00 0.00 55.36 54.49 3dxj s GLN 639 Cb -0.05 -2.73 0.02 0.00 1.00 0.00 0.00 33.01 31.25 3dxj s GLN 639 CO -0.02 0.49 -0.02 1.03 -2.12 0.00 0.00 175.29 174.65 3dxj s ARG 640 N -3.15 0.39 0.35 2.91 0.52 0.08 -4.88 118.95 115.16 3dxj s ARG 640 Ca 0.32 -0.01 -0.27 0.00 -0.52 0.00 0.00 55.73 55.24 3dxj s ARG 640 Cb -0.10 -0.49 -0.09 0.00 0.52 0.00 0.00 34.95 34.79 3dxj s ARG 640 CO 0.25 -0.07 1.16 -2.14 0.02 0.00 0.00 175.30 174.53 3dxj s PRO 641 N 0.69 4.32 -0.23 3.54 0.02 -1.26 0.19 135.00 142.27 3dxj s PRO 641 Ca -0.07 1.88 0.16 0.00 0.02 0.00 0.00 61.00 62.99 3dxj s PRO 641 Cb -0.11 -2.92 0.47 0.00 0.02 0.00 0.00 34.50 31.97 3dxj s PRO 641 CO -0.01 -0.10 1.16 0.54 -0.33 0.00 0.00 177.00 178.26 3dxj n ARG 642 N 0.58 2.18 -3.75 5.54 5.12 0.14 -4.87 116.66 121.61 3dxj n ARG 642 Ca 0.02 -3.54 -0.13 0.00 -1.93 0.00 0.00 57.85 52.26 3dxj n ARG 642 Cb 0.45 -1.66 -0.08 0.00 -1.16 0.00 0.00 32.46 30.01 3dxj n ARG 642 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3dxj s VAL 643 N -3.57 0.06 0.28 1.55 0.11 -1.25 -4.98 120.40 112.60 3dxj s VAL 643 Ca 0.38 -0.48 0.12 0.00 -2.93 0.00 0.00 61.98 59.06 3dxj s VAL 643 Cb 0.37 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 3dxj s VAL 643 CO -0.03 -0.27 -0.20 0.68 -3.33 0.00 0.00 175.10 171.96 3dxj s VAL 644 N -1.49 2.47 0.75 2.04 -7.23 -1.26 -5.02 120.40 110.65 3dxj s VAL 644 Ca -0.12 -2.40 -0.17 0.00 -1.81 0.00 0.00 61.98 57.48 3dxj s VAL 644 Cb -0.04 -2.31 -0.10 0.00 0.56 0.00 0.00 36.38 34.48 3dxj s VAL 644 CO 0.03 -0.39 -0.08 1.33 -0.31 0.00 0.00 175.10 175.68 3dxj n VAL 645 N -0.62 0.58 0.00 1.32 0.24 -1.26 -1.78 118.33 116.80 3dxj n VAL 645 Ca -0.05 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3dxj n VAL 645 Cb 0.60 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3dxj n VAL 645 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dxj n GLY 646 N 2.46 0.70 3.67 7.63 0.00 0.45 -4.79 105.19 115.31 3dxj n GLY 646 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3dxj n GLY 646 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dxj s GLN 647 N 0.00 4.18 0.22 1.61 0.74 -0.73 -4.36 119.66 121.32 3dxj s GLN 647 Ca 0.00 2.25 -0.22 0.00 0.05 0.00 0.00 55.36 57.45 3dxj s GLN 647 Cb 0.00 -3.91 -0.08 0.00 1.10 0.00 0.00 33.01 30.12 3dxj s GLN 647 CO 0.00 -0.82 0.76 -0.98 -0.55 0.00 0.00 175.29 173.69 3dxj s ARG 648 N 3.73 4.36 -0.08 1.67 1.70 -1.25 0.29 118.95 129.37 3dxj s ARG 648 Ca 0.75 0.98 -0.09 0.00 -0.47 0.00 0.00 55.73 56.90 3dxj s ARG 648 Cb -0.36 -2.97 0.02 0.00 -0.57 0.00 0.00 34.95 31.08 3dxj s ARG 648 CO 0.31 0.43 0.24 0.08 -1.08 0.00 0.00 175.30 175.28 3dxj s VAL 649 N -1.44 0.01 0.43 4.99 1.01 0.20 -4.94 120.40 120.66 3dxj s VAL 649 Ca 0.42 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.35 3dxj s VAL 649 Cb -0.18 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.83 3dxj s VAL 649 CO 0.22 -0.04 0.62 0.00 0.00 0.00 0.00 175.10 175.90 3dxj s ARG 650 N -0.07 2.95 0.53 2.72 3.03 -1.26 0.27 118.95 127.12 3dxj s ARG 650 Ca -0.02 -0.77 -0.19 0.00 2.03 0.00 0.00 55.73 56.79 3dxj s ARG 650 Cb -0.02 -2.64 -0.11 0.00 -1.03 0.00 0.00 34.95 31.15 3dxj s ARG 650 CO 0.01 -0.26 0.40 1.17 -1.13 0.00 0.00 175.30 175.48 3dxj n LYS 651 N -1.98 0.42 -0.18 3.89 4.81 -0.34 -2.28 118.16 122.49 3dxj n LYS 651 Ca 0.03 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 3dxj n LYS 651 Cb 0.58 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 34.11 3dxj n LYS 651 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dxj n GLY 652 N 1.93 2.54 3.84 3.14 0.00 0.74 -4.86 105.19 112.53 3dxj n GLY 652 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3dxj n GLY 652 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dxj s ASP 653 N -3.76 6.73 0.74 1.61 -0.00 -0.97 -4.56 116.67 116.46 3dxj s ASP 653 Ca 0.00 1.45 -0.11 0.00 -0.00 0.00 0.00 52.55 53.89 3dxj s ASP 653 Cb 0.00 -2.45 0.03 0.00 -0.00 0.00 0.00 42.92 40.50 3dxj s ASP 653 CO 0.00 -0.40 1.07 -0.22 -0.00 0.00 0.00 175.17 175.63 3dxj s LEU 654 N -3.52 2.95 0.15 1.23 2.96 -1.26 0.14 118.68 121.33 3dxj s LEU 654 Ca 0.57 1.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 3dxj s LEU 654 Cb -0.10 -4.32 0.00 0.00 0.50 0.00 0.00 46.19 42.27 3dxj s LEU 654 CO 0.23 -1.67 0.00 0.18 -1.32 0.00 0.00 176.35 173.77 3dxj n LEU 655 N -3.27 -0.01 -3.92 -0.68 4.77 0.21 -4.78 117.00 109.32 3dxj n LEU 655 Ca 0.07 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 56.07 3dxj n LEU 655 Cb 0.54 0.18 -0.17 0.00 -2.33 0.00 0.00 43.42 41.65 3dxj n LEU 655 CO 0.56 -0.63 -0.43 0.00 -1.33 0.00 0.00 177.39 175.55 3dxj s ALA 656 N -2.00 1.07 -0.05 -1.18 0.00 -1.22 0.26 121.76 118.64 3dxj s ALA 656 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 3dxj s ALA 656 Cb 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3dxj s ALA 656 CO 0.00 -0.17 1.10 -0.51 0.00 0.00 0.00 175.76 176.18 3dxj s ASP 657 N 1.25 7.16 0.00 0.00 1.01 0.51 -0.38 116.67 126.22 3dxj s ASP 657 Ca -0.05 1.72 0.00 0.00 0.71 0.00 0.00 52.55 54.94 3dxj s ASP 657 Cb -0.14 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.23 3dxj s ASP 657 CO -0.02 -0.48 0.00 0.61 0.21 0.00 0.00 175.17 175.49 3dxj n GLY 658 N 3.19 -2.88 0.22 0.21 0.00 -1.23 -0.74 105.19 103.96 3dxj n GLY 658 Ca 0.09 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 3dxj n GLY 658 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dxj h PRO 659 N 0.00 -0.48 -2.22 1.61 0.11 -1.78 -3.35 132.00 125.89 3dxj h PRO 659 Ca 0.00 0.03 -0.68 0.00 0.11 0.00 0.00 66.00 65.46 3dxj h PRO 659 Cb 0.00 0.11 -0.36 0.00 0.11 0.00 0.00 31.00 30.86 3dxj h PRO 659 CO 0.00 -0.32 0.06 0.00 -0.21 0.00 0.00 178.00 177.53 3dxj n ALA 660 N -2.40 5.31 -3.64 -0.75 0.00 -1.26 -4.74 120.51 113.03 3dxj n ALA 660 Ca -0.06 -4.63 -0.21 0.00 0.00 0.00 0.00 53.44 48.55 3dxj n ALA 660 Cb 0.21 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.17 3dxj n ALA 660 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dxj s SER 661 N -2.57 1.11 -0.37 0.00 1.04 -1.26 0.72 113.70 112.37 3dxj s SER 661 Ca 0.45 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 3dxj s SER 661 Cb 0.26 -0.48 0.04 0.00 0.10 0.00 0.00 66.02 65.93 3dxj s SER 661 CO -0.15 -0.07 0.17 -0.70 0.98 0.00 0.00 173.24 173.48 3dxj s GLU 662 N 1.04 2.70 -1.25 4.02 2.12 0.20 -4.46 118.70 123.07 3dxj s GLU 662 Ca -0.09 -1.18 -0.00 0.00 0.36 0.00 0.00 54.97 54.06 3dxj s GLU 662 Cb -0.14 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.62 3dxj s GLU 662 CO -0.01 -0.72 0.85 0.09 -0.54 0.00 0.00 175.26 174.93 3dxj n ASN 663 N 4.91 -1.62 -1.51 -1.70 3.02 -1.26 -1.38 115.26 115.73 3dxj n ASN 663 Ca -0.12 -0.72 -0.20 0.00 -0.03 0.00 0.00 54.58 53.52 3dxj n ASN 663 Cb 0.45 -4.59 -0.08 0.00 -0.61 0.00 0.00 39.78 34.95 3dxj n ASN 663 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxj n GLY 664 N -1.36 1.86 3.35 7.41 0.00 -1.26 -4.97 105.19 110.23 3dxj n GLY 664 Ca -0.29 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 3dxj n GLY 664 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dxj s PHE 665 N -2.73 2.55 -0.32 1.61 0.40 -0.48 -4.23 117.98 114.79 3dxj s PHE 665 Ca 0.00 -0.50 -0.35 0.00 -0.60 0.00 0.00 56.93 55.48 3dxj s PHE 665 Cb 0.00 -1.62 -0.12 0.00 0.51 0.00 0.00 43.02 41.79 3dxj s PHE 665 CO 0.00 -0.07 2.12 -0.11 0.70 0.00 0.00 175.22 177.86 3dxj n LEU 666 N 2.75 2.29 -4.12 -0.37 7.94 -1.23 0.61 117.00 124.87 3dxj n LEU 666 Ca -0.17 0.52 -0.37 0.00 -1.11 0.00 0.00 56.01 54.87 3dxj n LEU 666 Cb 0.52 -1.27 -0.08 0.00 0.53 0.00 0.00 43.42 43.12 3dxj n LEU 666 CO 0.26 -0.64 0.13 0.00 -1.11 0.00 0.00 177.39 176.03 3dxj s ALA 667 N 6.69 3.75 -0.56 1.96 0.00 0.22 -4.47 121.76 129.35 3dxj s ALA 667 Ca 1.07 -3.38 0.23 0.00 0.00 0.00 0.00 51.96 49.88 3dxj s ALA 667 Cb -0.85 -2.79 0.04 0.00 0.00 0.00 0.00 23.12 19.52 3dxj s ALA 667 CO 0.51 -2.14 1.01 1.28 0.00 0.00 0.00 175.76 176.42 3dxj n LEU 668 N 3.32 0.60 0.00 0.00 4.77 -1.21 -4.31 117.00 120.17 3dxj n LEU 668 Ca 0.11 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3dxj n LEU 668 Cb 0.39 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3dxj n LEU 668 CO 0.34 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3dxj n GLY 669 N 1.35 4.12 2.76 -0.72 0.00 -1.21 -4.57 105.19 106.92 3dxj n GLY 669 Ca 0.02 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 3dxj n GLY 669 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dxj s GLN 670 N 2.32 -0.02 0.36 1.61 -0.21 -0.64 0.76 119.66 123.84 3dxj s GLN 670 Ca 0.00 0.42 -0.28 0.00 0.02 0.00 0.00 55.36 55.51 3dxj s GLN 670 Cb 0.00 -0.37 -0.10 0.00 1.00 0.00 0.00 33.01 33.54 3dxj s GLN 670 CO 0.00 -0.29 1.39 -0.80 -2.12 0.00 0.00 175.29 173.47 3dxj s ASN 671 N 1.99 6.51 0.18 5.90 0.01 -1.26 -3.17 114.94 125.09 3dxj s ASN 671 Ca 0.01 2.86 -0.23 0.00 -0.71 0.00 0.00 52.86 54.79 3dxj s ASN 671 Cb -0.12 -2.66 0.06 0.00 0.41 0.00 0.00 41.25 38.94 3dxj s ASN 671 CO -0.04 -0.73 0.70 0.54 -1.51 0.00 0.00 177.10 176.05 3dxj s VAL 672 N -1.14 0.00 -0.62 1.60 0.11 -0.76 -4.93 120.40 114.65 3dxj s VAL 672 Ca 0.52 -0.35 -0.27 0.00 -2.93 0.00 0.00 61.98 58.94 3dxj s VAL 672 Cb -0.43 -1.38 0.03 0.00 -1.53 0.00 0.00 36.38 33.08 3dxj s VAL 672 CO 0.57 0.00 1.18 -0.76 -3.33 0.00 0.00 175.10 172.77 3dxj s LEU 673 N -2.78 3.47 0.02 2.54 1.43 -1.26 -0.12 118.68 121.96 3dxj s LEU 673 Ca 0.05 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 3dxj s LEU 673 Cb -0.03 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 3dxj s LEU 673 CO -0.05 -1.55 -0.02 0.54 0.23 0.00 0.00 176.35 175.49 3dxj s VAL 674 N 5.04 3.97 -0.49 -1.59 0.11 0.16 -0.75 120.40 126.84 3dxj s VAL 674 Ca 0.39 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 3dxj s VAL 674 Cb -0.08 -2.78 0.15 0.00 -1.53 0.00 0.00 36.38 32.14 3dxj s VAL 674 CO 0.22 0.34 0.32 0.00 -3.33 0.00 0.00 175.10 172.64 3dxj s ALA 675 N -1.09 2.29 -0.11 1.54 0.00 -0.66 -0.54 121.76 123.19 3dxj s ALA 675 Ca 0.20 -2.81 -0.37 0.00 0.00 0.00 0.00 51.96 48.98 3dxj s ALA 675 Cb -0.11 -1.87 -0.14 0.00 0.00 0.00 0.00 23.12 21.00 3dxj s ALA 675 CO 0.11 -2.05 1.71 1.51 0.00 0.00 0.00 175.76 177.03 3dxj n ILE 676 N 3.04 0.31 0.00 0.00 3.06 -1.20 -3.64 119.36 120.92 3dxj n ILE 676 Ca 0.16 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.36 3dxj n ILE 676 Cb 0.38 -1.41 0.00 0.00 0.54 0.00 0.00 39.64 39.15 3dxj n ILE 676 CO 0.00 0.00 0.00 1.15 -2.50 0.00 0.00 176.55 175.20 3dxj n MET 677 N 5.10 0.00 -2.85 9.51 0.00 0.81 -4.57 117.12 125.13 3dxj n MET 677 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.53 3dxj n MET 677 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.38 3dxj n MET 677 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3dxj s PRO 678 N -2.00 4.68 -0.34 3.17 0.04 -1.26 -3.59 135.00 135.70 3dxj s PRO 678 Ca 0.00 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 62.35 3dxj s PRO 678 Cb 0.00 -3.31 0.11 0.00 0.04 0.00 0.00 34.50 31.34 3dxj s PRO 678 CO 0.00 0.44 0.14 0.12 0.04 0.00 0.00 177.00 177.73 3dxj s PHE 679 N -0.75 1.54 -1.72 0.56 5.36 -1.26 -4.89 117.98 116.82 3dxj s PHE 679 Ca 0.40 -1.77 -0.21 0.00 -0.96 0.00 0.00 56.93 54.39 3dxj s PHE 679 Cb -0.24 -1.60 0.21 0.00 -0.34 0.00 0.00 43.02 41.05 3dxj s PHE 679 CO 0.28 -0.85 0.59 -0.25 -1.46 0.00 0.00 175.22 173.53 3dxj n ASP 680 N 4.57 -2.09 -0.67 6.13 9.92 -1.26 -0.59 116.55 132.57 3dxj n ASP 680 Ca 0.01 -1.07 -0.09 0.00 -0.53 0.00 0.00 54.79 53.11 3dxj n ASP 680 Cb 0.40 -1.80 -0.04 0.00 -0.64 0.00 0.00 41.12 39.05 3dxj n ASP 680 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dxj n GLY 681 N -1.08 0.85 0.15 0.44 0.00 -1.26 -4.85 105.19 99.44 3dxj n GLY 681 Ca 0.10 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3dxj n GLY 681 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3dxj h TYR 682 N 0.00 0.84 -0.36 1.61 0.05 -1.25 -2.87 116.97 114.99 3dxj h TYR 682 Ca -0.18 -0.55 -0.18 0.00 0.05 0.00 0.00 58.73 57.87 3dxj h TYR 682 Cb 1.11 -0.06 -0.11 0.00 1.01 0.00 0.00 36.73 38.69 3dxj h TYR 682 CO 0.59 1.41 0.23 0.27 -1.05 0.00 0.00 178.16 179.60 3dxj n ASN 683 N -3.93 3.24 0.00 3.88 0.23 -1.26 -4.21 115.26 113.22 3dxj n ASN 683 Ca -0.14 -2.59 0.00 0.00 -0.53 0.00 0.00 54.58 51.33 3dxj n ASN 683 Cb 0.92 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 3dxj n ASN 683 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3dxj n PHE 684 N -0.09 0.00 -3.09 -2.53 7.35 -1.09 -3.75 117.46 114.26 3dxj n PHE 684 Ca 0.22 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.46 3dxj n PHE 684 Cb 0.92 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.73 3dxj n PHE 684 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3dxj s GLU 685 N 0.00 3.84 0.00 -4.13 2.56 -1.26 -4.37 118.70 115.34 3dxj s GLU 685 Ca 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 54.97 52.58 3dxj s GLU 685 Cb 0.00 -4.79 0.00 0.00 2.00 0.00 0.00 34.13 31.34 3dxj s GLU 685 CO 0.00 -1.58 0.00 -0.25 -0.56 0.00 0.00 175.26 172.87 3dxj n ASP 686 N 5.09 0.00 -4.73 -1.70 8.00 -1.26 -4.91 116.55 117.04 3dxj n ASP 686 Ca 0.25 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.42 3dxj n ASP 686 Cb 0.45 -1.09 0.09 0.00 -0.02 0.00 0.00 41.12 40.56 3dxj n ASP 686 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dxj s ALA 687 N -2.03 2.11 0.01 2.24 0.00 -1.25 -2.93 121.76 119.91 3dxj s ALA 687 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.75 3dxj s ALA 687 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3dxj s ALA 687 CO 0.00 -1.87 -0.01 0.42 0.00 0.00 0.00 175.76 174.30 3dxj s ILE 688 N -2.13 0.05 0.35 0.00 1.01 0.62 -4.15 121.20 116.94 3dxj s ILE 688 Ca 0.72 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.20 3dxj s ILE 688 Cb -0.27 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 3dxj s ILE 688 CO 0.46 -0.12 0.38 0.68 0.00 0.00 0.00 174.94 176.34 3dxj s VAL 689 N -0.38 3.65 0.03 2.92 -7.23 -1.25 0.15 120.40 118.29 3dxj s VAL 689 Ca -0.04 -1.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 3dxj s VAL 689 Cb -0.03 -3.25 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 3dxj s VAL 689 CO -0.00 -0.15 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.96 3dxj s ILE 690 N -2.27 0.33 -0.61 -0.62 -1.09 0.64 -3.59 121.20 113.99 3dxj s ILE 690 Ca 0.44 -0.92 -0.22 0.00 -2.23 0.00 0.00 60.65 57.71 3dxj s ILE 690 Cb -0.07 -0.43 0.06 0.00 -1.58 0.00 0.00 42.46 40.44 3dxj s ILE 690 CO 0.29 -0.39 0.90 -0.55 -1.23 0.00 0.00 174.94 173.96 3dxj s SER 691 N -1.39 6.22 0.52 3.58 0.15 0.14 0.52 113.70 123.44 3dxj s SER 691 Ca -0.11 -0.85 0.29 0.00 0.70 0.00 0.00 55.95 55.98 3dxj s SER 691 Cb -0.09 -2.40 1.00 0.00 -1.71 0.00 0.00 66.02 62.81 3dxj s SER 691 CO -0.00 -1.30 1.20 1.21 1.20 0.00 0.00 173.24 175.55 3dxj n GLU 692 N 7.37 0.01 -0.33 5.44 2.13 0.62 0.79 120.64 136.67 3dxj n GLU 692 Ca -0.03 0.91 0.22 0.00 0.66 0.00 0.00 57.16 58.92 3dxj n GLU 692 Cb 0.46 -2.23 0.45 0.00 0.27 0.00 0.00 31.44 30.39 3dxj n GLU 692 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3dxj h GLU 693 N 0.00 0.33 -0.79 5.31 4.57 -1.89 0.45 114.58 122.55 3dxj h GLU 693 Ca 0.54 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.78 3dxj h GLU 693 Cb 2.79 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 31.25 3dxj h GLU 693 CO -0.01 0.22 0.52 -0.07 -1.18 0.00 0.00 179.01 178.49 3dxj h LEU 694 N 0.34 0.70 0.72 1.64 3.38 0.03 -1.72 115.31 120.40 3dxj h LEU 694 Ca 0.71 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.66 3dxj h LEU 694 Cb 1.58 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.20 3dxj h LEU 694 CO -0.60 0.43 -0.35 -0.07 0.09 0.00 0.00 178.44 177.95 3dxj h LEU 695 N 0.78 -0.82 -1.12 1.67 3.38 -0.29 -0.91 115.31 118.00 3dxj h LEU 695 Ca 0.36 0.02 0.43 0.00 0.09 0.00 0.00 57.88 58.77 3dxj h LEU 695 Cb 0.36 0.21 -0.17 0.00 0.09 0.00 0.00 40.66 41.16 3dxj h LEU 695 CO -0.13 -0.46 0.65 0.11 0.09 0.00 0.00 178.44 178.70 3dxj h LYS 696 N -1.22 0.02 -0.74 1.13 1.57 -1.04 2.07 116.57 118.36 3dxj h LYS 696 Ca -0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3dxj h LYS 696 Cb 0.76 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3dxj h LYS 696 CO 0.16 0.02 0.00 0.54 -0.57 0.00 0.00 179.45 179.60 3dxj n ARG 697 N -5.08 3.18 -2.59 3.15 1.74 -0.71 -4.88 116.66 111.47 3dxj n ARG 697 Ca 0.38 -1.80 -0.05 0.00 -0.77 0.00 0.00 57.85 55.61 3dxj n ARG 697 Cb 1.35 -1.91 -0.00 0.00 -1.02 0.00 0.00 32.46 30.88 3dxj n ARG 697 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dxj n ASP 698 N 0.38 -1.81 0.00 0.55 9.92 0.70 -4.84 116.55 121.45 3dxj n ASP 698 Ca 0.16 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.75 3dxj n ASP 698 Cb 0.77 -1.64 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 3dxj n ASP 698 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3dxj n PHE 699 N -2.82 0.00 -1.80 1.24 3.01 -0.37 -3.42 117.46 113.31 3dxj n PHE 699 Ca -0.03 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.02 3dxj n PHE 699 Cb 0.53 -0.25 -0.01 0.00 -0.01 0.00 0.00 39.48 39.73 3dxj n PHE 699 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3dxj n TYR 700 N -1.31 2.85 -4.32 1.38 4.02 -1.26 -4.39 117.16 114.12 3dxj n TYR 700 Ca 0.00 -2.94 -0.34 0.00 -0.01 0.00 0.00 57.90 54.62 3dxj n TYR 700 Cb 0.00 -2.24 -0.15 0.00 -0.02 0.00 0.00 39.34 36.93 3dxj n TYR 700 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3dxj s THR 701 N 1.26 2.72 0.13 -0.72 2.01 -1.22 -0.97 115.64 118.84 3dxj s THR 701 Ca 0.54 -0.74 0.10 0.00 0.31 0.00 0.00 61.69 61.90 3dxj s THR 701 Cb 0.15 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 3dxj s THR 701 CO -0.06 0.50 -0.23 -0.94 -0.69 0.00 0.00 174.62 173.20 3dxj s SER 702 N 1.03 2.94 -0.23 3.53 1.04 -0.01 -0.61 113.70 121.38 3dxj s SER 702 Ca -0.01 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.56 3dxj s SER 702 Cb -0.15 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.74 3dxj s SER 702 CO -0.03 0.10 0.19 -0.63 0.98 0.00 0.00 173.24 173.85 3dxj s ILE 703 N -1.26 5.34 -0.06 -1.02 1.01 -1.26 -0.80 121.20 123.15 3dxj s ILE 703 Ca 0.12 0.25 0.02 0.00 0.00 0.00 0.00 60.65 61.04 3dxj s ILE 703 Cb -0.09 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 3dxj s ILE 703 CO 0.06 0.34 -0.10 -2.28 0.00 0.00 0.00 174.94 172.95 3dxj s HIS 704 N 1.04 2.83 -0.21 3.97 2.46 0.13 -3.42 115.29 122.09 3dxj s HIS 704 Ca 0.09 -0.08 -0.00 0.00 0.47 0.00 0.00 55.06 55.54 3dxj s HIS 704 Cb -0.13 -1.68 0.05 0.00 -0.13 0.00 0.00 32.58 30.69 3dxj s HIS 704 CO 0.05 0.25 -0.04 -1.50 -2.47 0.00 0.00 174.74 171.03 3dxj s ILE 705 N -0.74 1.24 -0.01 0.89 2.07 -1.19 -0.32 121.20 123.14 3dxj s ILE 705 Ca 0.11 -0.94 -0.00 0.00 -1.41 0.00 0.00 60.65 58.41 3dxj s ILE 705 Cb -0.11 -1.52 -0.04 0.00 0.13 0.00 0.00 42.46 40.92 3dxj s ILE 705 CO 0.01 -0.05 0.05 -0.70 -1.91 0.00 0.00 174.94 172.34 3dxj s GLU 706 N 1.54 2.99 0.08 3.50 2.56 -0.05 -4.75 118.70 124.57 3dxj s GLU 706 Ca -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 54.97 54.48 3dxj s GLU 706 Cb -0.17 -2.81 -0.04 0.00 2.00 0.00 0.00 34.13 33.11 3dxj s GLU 706 CO -0.07 0.65 0.01 0.50 -0.56 0.00 0.00 175.26 175.79 3dxj s ARG 707 N -1.59 2.62 0.04 4.30 3.52 -1.26 -1.36 118.95 125.22 3dxj s ARG 707 Ca 0.21 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 3dxj s ARG 707 Cb -0.12 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.67 3dxj s ARG 707 CO 0.12 0.56 -0.09 0.71 -0.81 0.00 0.00 175.30 175.78 3dxj s TYR 708 N -1.29 0.82 0.09 5.12 1.51 -1.12 -5.00 117.35 117.49 3dxj s TYR 708 Ca 0.25 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 3dxj s TYR 708 Cb -0.12 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 3dxj s TYR 708 CO 0.18 -0.03 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.49 3dxj s GLU 709 N -1.25 0.81 0.06 -0.62 2.12 -1.25 -1.81 118.70 116.76 3dxj s GLU 709 Ca -0.04 -1.13 -0.05 0.00 0.36 0.00 0.00 54.97 54.10 3dxj s GLU 709 Cb -0.08 -0.46 -0.02 0.00 0.26 0.00 0.00 34.13 33.83 3dxj s GLU 709 CO 0.01 0.06 0.09 -1.50 -0.54 0.00 0.00 175.26 173.38 3dxj s ILE 710 N -2.46 0.16 0.11 -3.70 1.10 -0.52 -4.96 121.20 110.93 3dxj s ILE 710 Ca 0.04 -1.34 0.09 0.00 -0.51 0.00 0.00 60.65 58.93 3dxj s ILE 710 Cb -0.03 -1.25 -0.04 0.00 0.15 0.00 0.00 42.46 41.30 3dxj s ILE 710 CO -0.01 -0.74 -0.22 -1.61 -2.11 0.00 0.00 174.94 170.25 3dxj s GLU 711 N -3.46 1.20 -0.62 3.50 8.01 -1.26 -2.25 118.70 123.82 3dxj s GLU 711 Ca 0.02 -1.23 -0.00 0.00 0.01 0.00 0.00 54.97 53.77 3dxj s GLU 711 Cb 0.04 -1.51 0.16 0.00 -4.31 0.00 0.00 34.13 28.51 3dxj s GLU 711 CO -0.09 0.35 0.41 0.00 0.01 0.00 0.00 175.26 175.94 3dxj s ALA 712 N -1.21 3.55 -0.01 5.21 0.00 0.10 -4.97 121.76 124.44 3dxj s ALA 712 Ca 0.09 -3.34 -0.18 0.00 0.00 0.00 0.00 51.96 48.54 3dxj s ALA 712 Cb -0.10 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 3dxj s ALA 712 CO 0.05 -2.09 0.50 1.03 0.00 0.00 0.00 175.76 175.25 3dxj s ARG 713 N -0.28 4.18 -0.87 0.00 0.52 -1.26 0.32 118.95 121.56 3dxj s ARG 713 Ca 0.18 0.57 -0.24 0.00 -0.52 0.00 0.00 55.73 55.72 3dxj s ARG 713 Cb -0.21 -3.30 0.06 0.00 0.52 0.00 0.00 34.95 32.02 3dxj s ARG 713 CO -0.03 0.48 1.29 -0.51 0.02 0.00 0.00 175.30 176.54 3dxj s ASP 714 N -0.47 6.36 0.35 0.23 -0.00 0.38 -3.58 116.67 119.94 3dxj s ASP 714 Ca 0.27 -1.14 -0.19 0.00 -0.00 0.00 0.00 52.55 51.49 3dxj s ASP 714 Cb -0.17 -2.52 -0.10 0.00 -0.00 0.00 0.00 42.92 40.13 3dxj s ASP 714 CO 0.15 -1.55 0.85 -0.89 -0.00 0.00 0.00 175.17 173.72 3dxj s THR 715 N 4.80 4.49 0.28 -1.27 2.01 -1.25 -4.93 115.64 119.78 3dxj s THR 715 Ca 0.37 1.32 -0.01 0.00 0.31 0.00 0.00 61.69 63.69 3dxj s THR 715 Cb -0.06 -3.69 0.15 0.00 0.01 0.00 0.00 72.50 68.92 3dxj s THR 715 CO 0.01 -0.15 1.82 0.50 -0.69 0.00 0.00 174.62 176.12 3dxj h LYS 716 N 2.38 0.80 -1.01 4.92 3.64 -2.01 -1.05 116.57 124.24 3dxj h LYS 716 Ca -0.48 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 3dxj h LYS 716 Cb 1.18 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3dxj h LYS 716 CO 0.64 0.73 0.00 1.28 -2.27 0.00 0.00 179.45 179.83 3dxj n LEU 717 N -4.27 1.59 0.00 5.20 4.77 -1.26 -4.88 117.00 118.16 3dxj n LEU 717 Ca 0.04 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 3dxj n LEU 717 Cb 0.23 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3dxj n LEU 717 CO 0.40 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3dxj n GLY 718 N 0.38 0.65 3.74 -0.72 0.00 -0.40 -4.78 105.19 104.06 3dxj n GLY 718 Ca 0.00 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3dxj n GLY 718 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dxj s PRO 719 N -4.41 4.41 0.54 1.61 0.02 -1.24 -3.77 135.00 132.16 3dxj s PRO 719 Ca 0.00 2.01 -0.04 0.00 0.02 0.00 0.00 61.00 62.99 3dxj s PRO 719 Cb 0.00 -3.21 -0.00 0.00 0.02 0.00 0.00 34.50 31.31 3dxj s PRO 719 CO 0.00 -0.23 0.83 -1.83 -0.33 0.00 0.00 177.00 175.44 3dxj s GLU 720 N -0.03 3.07 0.11 5.54 4.04 -1.23 -4.92 118.70 125.28 3dxj s GLU 720 Ca 0.56 -0.07 -0.11 0.00 0.04 0.00 0.00 54.97 55.39 3dxj s GLU 720 Cb -0.35 -2.36 0.01 0.00 0.02 0.00 0.00 34.13 31.45 3dxj s GLU 720 CO 0.37 -0.51 0.27 1.03 -1.84 0.00 0.00 175.26 174.58 3dxj s ARG 721 N -4.84 0.97 -0.47 -4.83 0.52 0.78 -4.73 118.95 106.34 3dxj s ARG 721 Ca 0.51 -0.93 -0.20 0.00 -0.52 0.00 0.00 55.73 54.59 3dxj s ARG 721 Cb -0.10 0.39 0.04 0.00 0.52 0.00 0.00 34.95 35.79 3dxj s ARG 721 CO 0.43 -0.34 0.65 0.96 0.02 0.00 0.00 175.30 177.02 3dxj s ILE 722 N -3.87 4.82 0.07 1.52 -4.36 -1.26 -0.78 121.20 117.35 3dxj s ILE 722 Ca 0.07 -0.14 -0.08 0.00 -0.26 0.00 0.00 60.65 60.24 3dxj s ILE 722 Cb 0.04 -4.26 -0.00 0.00 1.25 0.00 0.00 42.46 39.48 3dxj s ILE 722 CO -0.09 -0.71 0.17 0.28 0.24 0.00 0.00 174.94 174.83 3dxj s THR 723 N 2.81 0.14 -0.27 8.37 -1.32 -1.10 -4.66 115.64 119.61 3dxj s THR 723 Ca 0.20 -1.15 0.20 0.00 -1.21 0.00 0.00 61.69 59.72 3dxj s THR 723 Cb -0.16 -1.24 0.12 0.00 -1.51 0.00 0.00 72.50 69.71 3dxj s THR 723 CO 0.16 -0.63 1.34 -0.09 -2.21 0.00 0.00 174.62 173.18 3dxj h ARG 724 N 2.96 0.00 -5.81 7.08 2.43 -1.85 -3.40 114.38 115.80 3dxj h ARG 724 Ca -0.34 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.16 3dxj h ARG 724 Cb 1.19 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.65 3dxj h ARG 724 CO 0.55 0.19 2.01 0.34 -1.51 0.00 0.00 179.97 181.55 3dxj s ASP 725 N -6.05 6.80 0.13 -3.80 2.15 -1.26 -4.97 116.67 109.67 3dxj s ASP 725 Ca 0.03 -2.32 0.06 0.00 0.43 0.00 0.00 52.55 50.75 3dxj s ASP 725 Cb 0.07 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 3dxj s ASP 725 CO 0.74 -1.19 0.02 0.27 -0.17 0.00 0.00 175.17 174.83 3dxj s ILE 726 N 4.13 3.97 -1.02 4.11 -4.36 -1.26 -4.96 121.20 121.81 3dxj s ILE 726 Ca 0.52 -1.17 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 3dxj s ILE 726 Cb 0.03 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.79 3dxj s ILE 726 CO 0.04 0.00 0.39 -2.65 0.24 0.00 0.00 174.94 172.96 3dxj n PRO 727 N 0.18 0.00 -0.97 0.37 -0.02 -1.26 -4.72 135.00 128.58 3dxj n PRO 727 Ca -0.10 0.06 -0.37 0.00 -2.02 0.00 0.00 63.50 61.07 3dxj n PRO 727 Cb 0.53 -1.54 0.05 0.00 -0.02 0.00 0.00 33.50 32.52 3dxj n PRO 727 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3dxj n HIS 728 N -0.89 -3.73 0.00 6.00 -0.00 -1.26 -5.00 115.22 110.35 3dxj n HIS 728 Ca 0.00 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.37 3dxj n HIS 728 Cb 0.04 -1.45 0.00 0.00 -0.12 0.00 0.00 29.99 28.47 3dxj n HIS 728 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 3dxj n LEU 729 N 2.98 1.07 0.00 0.27 7.94 -1.26 -5.05 117.00 122.94 3dxj n LEU 729 Ca -0.01 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.83 3dxj n LEU 729 Cb 0.62 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.62 3dxj n LEU 729 CO 0.50 0.00 0.06 -0.24 -1.11 0.00 0.00 177.39 176.60 3dxj n SER 730 N -1.00 -1.92 0.00 1.96 2.88 -1.26 -5.04 113.62 109.24 3dxj n SER 730 Ca 0.00 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 3dxj n SER 730 Cb 0.00 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 3dxj n SER 730 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3dxj n GLU 731 N -1.80 0.00 0.00 -1.46 4.07 -1.26 -4.74 120.64 115.45 3dxj n GLU 731 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 3dxj n GLU 731 Cb 0.11 -0.25 0.00 0.00 -0.06 0.00 0.00 31.44 31.23 3dxj n GLU 731 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dxj n ALA 732 N -2.49 1.06 0.98 4.31 0.00 -1.26 0.27 120.51 123.38 3dxj n ALA 732 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3dxj n ALA 732 Cb 0.15 -0.90 0.12 0.00 0.00 0.00 0.00 19.45 18.82 3dxj n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n ALA 733 N -1.27 3.94 0.28 0.00 0.00 -1.26 -3.83 120.51 118.36 3dxj n ALA 733 Ca 0.00 -0.43 0.10 0.00 0.00 0.00 0.00 53.44 53.10 3dxj n ALA 733 Cb 0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 3dxj n ALA 733 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dxj n LEU 734 N -1.53 0.29 0.00 0.00 4.77 0.76 -4.74 117.00 116.55 3dxj n LEU 734 Ca 0.05 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3dxj n LEU 734 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3dxj n LEU 734 CO 0.38 0.07 0.00 0.54 -1.33 0.00 0.00 177.39 177.05 3dxj n ARG 735 N -1.96 0.00 0.20 3.23 5.12 -0.87 -0.94 116.66 121.44 3dxj n ARG 735 Ca -0.01 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.95 3dxj n ARG 735 Cb 0.45 0.00 0.40 0.00 -1.16 0.00 0.00 32.46 32.16 3dxj n ARG 735 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3dxj h ASP 736 N 0.00 0.00 -1.83 0.55 3.32 -1.89 -3.36 116.42 113.22 3dxj h ASP 736 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 3dxj h ASP 736 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 3dxj h ASP 736 CO 0.00 0.34 1.29 -0.22 -1.72 0.00 0.00 179.24 178.94 3dxj s LEU 737 N -7.72 4.51 -0.02 1.55 2.96 -0.12 -1.38 118.68 118.46 3dxj s LEU 737 Ca -0.02 -2.15 0.07 0.00 -0.22 0.00 0.00 54.13 51.81 3dxj s LEU 737 Cb 0.13 -2.47 -0.10 0.00 0.50 0.00 0.00 46.19 44.25 3dxj s LEU 737 CO 0.69 -1.12 0.13 -0.90 -1.32 0.00 0.00 176.35 173.83 3dxj n ASP 738 N 7.18 3.36 -2.85 3.68 5.75 -1.17 -4.75 116.55 127.75 3dxj n ASP 738 Ca 0.32 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.95 3dxj n ASP 738 Cb 0.48 1.17 -0.04 0.00 -1.03 0.00 0.00 41.12 41.71 3dxj n ASP 738 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3dxj n GLU 739 N -1.86 1.55 -3.94 0.11 4.71 -0.46 -4.54 120.64 116.20 3dxj n GLU 739 Ca -0.03 -1.06 -0.40 0.00 -0.01 0.00 0.00 57.16 55.66 3dxj n GLU 739 Cb 0.31 -2.18 0.02 0.00 -1.01 0.00 0.00 31.44 28.58 3dxj n GLU 739 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3dxj n GLU 740 N 3.79 -0.65 0.00 3.49 4.71 -1.26 -1.91 120.64 128.81 3dxj n GLU 740 Ca 0.33 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.77 3dxj n GLU 740 Cb 0.23 -2.81 0.00 0.00 -1.01 0.00 0.00 31.44 27.85 3dxj n GLU 740 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dxj n GLY 741 N -1.94 3.02 3.88 0.62 0.00 -1.26 -4.63 105.19 104.88 3dxj n GLY 741 Ca -0.14 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 3dxj n GLY 741 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 742 N -0.61 4.98 0.19 1.61 1.01 -0.80 -2.81 120.40 123.98 3dxj s VAL 742 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 3dxj s VAL 742 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 3dxj s VAL 742 CO 0.00 -0.08 0.87 0.54 0.00 0.00 0.00 175.10 176.44 3dxj s VAL 743 N -1.72 4.25 0.23 2.92 0.11 -1.17 -1.36 120.40 123.66 3dxj s VAL 743 Ca 0.33 1.93 -0.30 0.00 -2.93 0.00 0.00 61.98 61.01 3dxj s VAL 743 Cb -0.11 -4.25 -0.09 0.00 -1.53 0.00 0.00 36.38 30.41 3dxj s VAL 743 CO 0.26 0.49 1.12 0.00 -3.33 0.00 0.00 175.10 173.64 3dxj s ARG 744 N -1.02 4.60 0.96 1.54 1.04 -0.48 -4.88 118.95 120.72 3dxj s ARG 744 Ca 0.39 1.79 -0.14 0.00 -1.04 0.00 0.00 55.73 56.74 3dxj s ARG 744 Cb -0.24 -3.22 0.01 0.00 -2.04 0.00 0.00 34.95 29.45 3dxj s ARG 744 CO 0.29 0.12 0.19 -0.89 -0.04 0.00 0.00 175.30 174.97 3dxj n ILE 745 N 1.76 0.00 -2.54 4.99 5.41 -1.26 -3.56 119.36 124.15 3dxj n ILE 745 Ca 0.01 -0.24 -0.18 0.00 1.00 0.00 0.00 62.75 63.33 3dxj n ILE 745 Cb 0.45 -0.51 0.01 0.00 -0.71 0.00 0.00 39.64 38.87 3dxj n ILE 745 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dxj n GLY 746 N 1.85 -0.36 3.76 7.39 0.00 -1.12 -4.94 105.19 111.77 3dxj n GLY 746 Ca 0.05 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3dxj n GLY 746 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj s ALA 747 N -2.96 3.52 -0.57 4.61 0.00 -1.23 -4.82 121.76 120.30 3dxj s ALA 747 Ca 0.09 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 3dxj s ALA 747 Cb -0.04 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.53 3dxj s ALA 747 CO 0.12 0.65 1.11 -2.00 0.00 0.00 0.00 175.76 175.64 3dxj s GLU 748 N -1.39 3.45 0.26 0.00 2.56 -1.26 -2.00 118.70 120.31 3dxj s GLU 748 Ca 0.19 0.07 0.07 0.00 0.00 0.00 0.00 54.97 55.30 3dxj s GLU 748 Cb -0.12 -4.03 -0.03 0.00 2.00 0.00 0.00 34.13 31.95 3dxj s GLU 748 CO 0.09 -1.63 0.23 0.14 -0.56 0.00 0.00 175.26 173.53 3dxj s VAL 749 N 4.65 4.42 0.13 3.70 -7.23 0.23 -4.98 120.40 121.31 3dxj s VAL 749 Ca 0.39 -1.35 -0.16 0.00 -1.81 0.00 0.00 61.98 59.05 3dxj s VAL 749 Cb -0.09 -3.43 0.03 0.00 0.56 0.00 0.00 36.38 33.46 3dxj s VAL 749 CO 0.23 -0.32 0.40 -0.54 -0.31 0.00 0.00 175.10 174.55 3dxj s LYS 750 N -3.88 1.08 -0.21 4.82 1.02 -1.26 -1.38 119.74 119.93 3dxj s LYS 750 Ca 0.34 -0.74 -0.42 0.00 0.02 0.00 0.00 55.97 55.18 3dxj s LYS 750 Cb -0.08 0.47 -0.18 0.00 -0.52 0.00 0.00 37.83 37.52 3dxj s LYS 750 CO 0.26 -0.42 1.46 -2.30 -0.92 0.00 0.00 175.35 173.42 3dxj n PRO 751 N -0.23 0.51 0.00 -1.68 -0.02 -1.26 -1.90 135.00 130.42 3dxj n PRO 751 Ca -0.15 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3dxj n PRO 751 Cb 0.64 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 3dxj n PRO 751 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 752 N 3.17 3.09 3.03 -1.23 0.00 0.13 -4.93 105.19 108.44 3dxj n GLY 752 Ca 0.25 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 3dxj n GLY 752 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dxj n ASP 753 N 0.23 -3.60 -4.23 1.61 8.00 -0.80 -4.35 116.55 113.40 3dxj n ASP 753 Ca 0.00 -0.89 -0.34 0.00 0.71 0.00 0.00 54.79 54.28 3dxj n ASP 753 Cb 0.00 -0.93 -0.15 0.00 -0.02 0.00 0.00 41.12 40.02 3dxj n ASP 753 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dxj s ILE 754 N -2.21 2.68 0.02 0.53 1.01 -1.26 0.37 121.20 122.34 3dxj s ILE 754 Ca 0.63 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 3dxj s ILE 754 Cb -0.10 -2.16 -0.31 0.00 0.01 0.00 0.00 42.46 39.90 3dxj s ILE 754 CO 0.52 0.49 0.94 -0.07 0.00 0.00 0.00 174.94 176.83 3dxj h LEU 755 N 7.79 0.57 -7.28 2.97 3.38 0.52 -3.45 115.31 119.82 3dxj h LEU 755 Ca -0.40 -0.68 -0.12 0.00 0.09 0.00 0.00 57.88 56.77 3dxj h LEU 755 Cb 1.16 -0.18 -0.25 0.00 0.09 0.00 0.00 40.66 41.48 3dxj h LEU 755 CO 0.61 1.55 -0.24 -0.69 0.09 0.00 0.00 178.44 179.76 3dxj s VAL 756 N -2.62 -0.01 -0.10 1.22 1.01 -1.01 -3.03 120.40 115.87 3dxj s VAL 756 Ca -0.09 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 3dxj s VAL 756 Cb 0.06 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 3dxj s VAL 756 CO 0.89 0.01 0.26 -0.83 0.00 0.00 0.00 175.10 175.43 3dxj s GLY 757 N 0.55 2.26 0.03 4.51 0.00 -1.12 0.29 107.32 113.84 3dxj s GLY 757 Ca -0.03 -0.47 0.04 0.00 0.00 0.00 0.00 44.72 44.26 3dxj s GLY 757 CO -0.03 -0.00 -0.11 -1.60 0.00 0.00 0.00 173.10 171.36 3dxj s ARG 758 N -0.62 0.76 -0.03 2.90 3.52 -1.26 -2.69 118.95 121.53 3dxj s ARG 758 Ca 0.18 -0.62 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 3dxj s ARG 758 Cb -0.14 -0.72 0.00 0.00 -1.56 0.00 0.00 34.95 32.54 3dxj s ARG 758 CO 0.06 0.18 -0.09 0.95 -0.81 0.00 0.00 175.30 175.59 3dxj s THR 759 N -0.76 0.83 0.00 4.11 -4.23 0.04 -0.66 115.64 114.97 3dxj s THR 759 Ca -0.00 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 3dxj s THR 759 Cb -0.07 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.03 3dxj s THR 759 CO 0.01 0.26 0.00 -1.54 -0.54 0.00 0.00 174.62 172.80 3dxj n SER 760 N 3.32 0.00 -3.51 3.99 3.41 0.06 -0.15 113.62 120.74 3dxj n SER 760 Ca -0.19 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.23 3dxj n SER 760 Cb 0.54 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.35 3dxj n SER 760 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3dxj s PHE 761 N 0.73 -0.19 0.61 7.33 0.40 -1.26 0.63 117.98 126.22 3dxj s PHE 761 Ca 0.00 0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.44 3dxj s PHE 761 Cb 0.00 -0.43 0.12 0.00 0.51 0.00 0.00 43.02 43.22 3dxj s PHE 761 CO 0.00 -0.59 0.83 1.17 0.70 0.00 0.00 175.22 177.33 3dxj n LYS 762 N 5.31 0.01 -2.51 0.44 4.81 -1.26 -4.50 118.16 120.45 3dxj n LYS 762 Ca -0.06 -2.25 -0.03 0.00 -0.87 0.00 0.00 58.31 55.10 3dxj n LYS 762 Cb 0.49 -0.55 -0.00 0.00 0.02 0.00 0.00 35.03 34.99 3dxj n LYS 762 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dxj n GLY 763 N -1.36 -0.50 3.88 3.14 0.00 -1.26 0.45 105.19 109.54 3dxj n GLY 763 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3dxj n GLY 763 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxj n GLU 764 N -2.58 -2.98 -4.49 1.61 2.13 -1.26 -1.87 120.64 111.21 3dxj n GLU 764 Ca -0.03 0.43 -0.40 0.00 0.66 0.00 0.00 57.16 57.82 3dxj n GLU 764 Cb 0.52 -4.47 -0.08 0.00 0.27 0.00 0.00 31.44 27.68 3dxj n GLU 764 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3dxj n SER 765 N -2.92 -1.30 -3.93 4.31 3.41 0.17 -4.90 113.62 108.47 3dxj n SER 765 Ca -0.27 -1.25 -0.29 0.00 -0.26 0.00 0.00 58.87 56.81 3dxj n SER 765 Cb 0.67 -1.65 -0.13 0.00 -0.26 0.00 0.00 64.21 62.84 3dxj n SER 765 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dxj s GLU 766 N -7.26 2.20 0.42 4.33 2.02 -0.78 -5.09 118.70 114.53 3dxj s GLU 766 Ca 0.66 -2.96 -0.24 0.00 0.02 0.00 0.00 54.97 52.44 3dxj s GLU 766 Cb -0.38 -3.37 -0.11 0.00 0.10 0.00 0.00 34.13 30.38 3dxj s GLU 766 CO 1.02 -1.19 1.00 -0.35 0.02 0.00 0.00 175.26 175.76 3dxj n PRO 767 N 2.58 1.33 -1.99 0.39 -0.04 -1.26 -4.92 135.00 131.08 3dxj n PRO 767 Ca 0.12 0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 63.64 3dxj n PRO 767 Cb 0.33 -2.03 -0.02 0.00 -0.04 0.00 0.00 33.50 31.74 3dxj n PRO 767 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3dxj s THR 768 N -1.28 2.66 0.26 0.52 2.01 -1.26 -4.87 115.64 113.67 3dxj s THR 768 Ca 0.63 0.53 -0.05 0.00 0.31 0.00 0.00 61.69 63.11 3dxj s THR 768 Cb -0.56 -3.34 0.24 0.00 0.01 0.00 0.00 72.50 68.85 3dxj s THR 768 CO 0.57 0.07 1.91 -0.65 -0.69 0.00 0.00 174.62 175.83 3dxj h PRO 769 N 5.49 1.22 0.76 4.92 0.11 -1.99 0.84 132.00 143.35 3dxj h PRO 769 Ca -0.45 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 3dxj h PRO 769 Cb 1.21 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3dxj h PRO 769 CO 0.81 0.85 -0.44 0.93 -0.21 0.00 0.00 178.00 179.94 3dxj h GLU 770 N 1.24 -1.08 -0.65 1.05 4.39 -2.02 -2.92 114.58 114.59 3dxj h GLU 770 Ca 0.32 0.07 0.03 0.00 0.34 0.00 0.00 59.36 60.12 3dxj h GLU 770 Cb -0.06 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 3dxj h GLU 770 CO -0.06 -0.72 0.41 1.49 -1.16 0.00 0.00 179.01 178.96 3dxj h GLU 771 N -1.12 0.78 -0.88 2.33 4.81 -1.81 -2.89 114.58 115.79 3dxj h GLU 771 Ca -0.10 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.21 3dxj h GLU 771 Cb 0.89 -0.18 -0.14 0.00 0.63 0.00 0.00 28.75 29.96 3dxj h GLU 771 CO 0.12 0.52 -0.42 -0.09 -0.73 0.00 0.00 179.01 178.40 3dxj h ARG 772 N 0.80 -0.05 0.00 1.92 2.43 0.84 0.15 114.38 120.47 3dxj h ARG 772 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3dxj h ARG 772 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3dxj h ARG 772 CO -0.10 -0.04 0.00 -0.11 -1.51 0.00 0.00 179.97 178.22 3dxj n LEU 773 N -5.42 0.00 -0.25 3.80 7.94 -1.09 -1.97 117.00 120.00 3dxj n LEU 773 Ca 0.07 0.88 -0.07 0.00 -1.11 0.00 0.00 56.01 55.78 3dxj n LEU 773 Cb 0.37 -0.38 -0.06 0.00 0.53 0.00 0.00 43.42 43.88 3dxj n LEU 773 CO -0.10 -0.38 0.36 -0.11 -1.11 0.00 0.00 177.39 176.04 3dxj n LEU 774 N -1.93 -0.64 -0.22 -1.96 -0.00 -0.76 -0.82 117.00 110.68 3dxj n LEU 774 Ca 0.00 1.21 -0.03 0.00 -0.00 0.00 0.00 56.01 57.18 3dxj n LEU 774 Cb 0.00 -0.21 0.03 0.00 -0.00 0.00 0.00 43.42 43.24 3dxj n LEU 774 CO 0.00 -0.94 0.65 0.03 -0.00 0.00 0.00 177.39 177.13 3dxj h ARG 775 N 0.00 -0.11 0.00 1.96 2.47 -0.66 0.25 114.38 118.29 3dxj h ARG 775 Ca 0.10 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3dxj h ARG 775 Cb 0.25 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3dxj h ARG 775 CO -0.57 -0.07 0.00 -1.13 0.56 0.00 0.00 179.97 178.76 3dxj n SER 776 N -5.45 0.14 -0.03 7.04 3.41 0.00 -1.20 113.62 117.54 3dxj n SER 776 Ca 0.06 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.37 3dxj n SER 776 Cb 0.36 -0.58 0.60 0.00 -0.26 0.00 0.00 64.21 64.33 3dxj n SER 776 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3dxj n ILE 777 N -1.68 0.00 -2.10 -1.33 5.41 0.87 -3.61 119.36 116.92 3dxj n ILE 777 Ca 0.00 -0.02 0.03 0.00 1.00 0.00 0.00 62.75 63.77 3dxj n ILE 777 Cb 0.04 -0.29 0.04 0.00 -0.71 0.00 0.00 39.64 38.72 3dxj n ILE 777 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3dxj n PHE 778 N -1.30 0.00 0.00 1.39 3.01 -0.34 -5.07 117.46 115.15 3dxj n PHE 778 Ca 0.11 -0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.16 3dxj n PHE 778 Cb 0.30 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3dxj n PHE 778 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dxj n GLY 779 N -0.00 1.51 2.65 1.37 0.00 -1.13 -4.98 105.19 104.60 3dxj n GLY 779 Ca 0.05 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 3dxj n GLY 779 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxj n GLU 780 N 2.01 4.61 -2.45 1.61 4.07 -1.26 -4.44 120.64 124.79 3dxj n GLU 780 Ca 0.00 -3.89 -0.32 0.00 -0.06 0.00 0.00 57.16 52.89 3dxj n GLU 780 Cb 0.00 -2.63 0.00 0.00 -0.06 0.00 0.00 31.44 28.75 3dxj n GLU 780 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3dxj n LYS 781 N 1.64 3.47 -1.52 5.31 4.76 -1.26 -4.99 118.16 125.56 3dxj n LYS 781 Ca 0.50 -4.35 -0.20 0.00 -2.87 0.00 0.00 58.31 51.39 3dxj n LYS 781 Cb 0.28 -2.28 -0.16 0.00 -1.84 0.00 0.00 35.03 31.03 3dxj n LYS 781 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dxj n ALA 782 N -0.40 0.77 -2.30 7.82 0.00 -1.26 -4.82 120.51 120.32 3dxj n ALA 782 Ca 0.42 -1.01 -0.37 0.00 0.00 0.00 0.00 53.44 52.49 3dxj n ALA 782 Cb 0.45 -2.76 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 3dxj n ALA 782 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dxj s ARG 783 N 7.90 2.99 0.66 0.00 3.52 -1.26 -4.75 118.95 128.01 3dxj s ARG 783 Ca 1.16 -0.28 0.25 0.00 -0.13 0.00 0.00 55.73 56.73 3dxj s ARG 783 Cb -0.58 -4.77 1.34 0.00 -1.56 0.00 0.00 34.95 29.38 3dxj s ARG 783 CO 0.37 -2.63 1.75 0.38 -0.81 0.00 0.00 175.30 174.37 3dxj h ASP 784 N 11.48 0.00 -2.58 -2.12 2.03 -1.94 -3.42 116.42 119.87 3dxj h ASP 784 Ca -0.05 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.71 3dxj h ASP 784 Cb 1.05 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.57 3dxj h ASP 784 CO 1.29 0.00 1.09 -0.69 -1.03 0.00 0.00 179.24 179.89 3dxj s VAL 785 N -4.10 3.11 0.33 4.15 1.01 -1.25 -4.23 120.40 119.41 3dxj s VAL 785 Ca -0.03 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 3dxj s VAL 785 Cb 0.07 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 3dxj s VAL 785 CO 0.24 -0.02 0.75 -0.75 0.00 0.00 0.00 175.10 175.32 3dxj s LYS 786 N 3.40 4.01 -0.39 2.72 2.20 0.20 -4.68 119.74 127.21 3dxj s LYS 786 Ca 0.78 0.69 -0.18 0.00 -0.36 0.00 0.00 55.97 56.91 3dxj s LYS 786 Cb -0.40 -2.41 0.01 0.00 -1.51 0.00 0.00 37.83 33.52 3dxj s LYS 786 CO 0.34 0.14 0.48 0.34 -0.36 0.00 0.00 175.35 176.29 3dxj s ASP 787 N -2.27 6.25 -0.33 1.43 2.15 -1.26 -0.76 116.67 121.87 3dxj s ASP 787 Ca 0.55 -0.36 0.12 0.00 0.43 0.00 0.00 52.55 53.29 3dxj s ASP 787 Cb -0.10 -2.25 0.46 0.00 -0.30 0.00 0.00 42.92 40.73 3dxj s ASP 787 CO 0.17 -0.54 1.10 0.35 -0.17 0.00 0.00 175.17 176.09 3dxj n THR 788 N 5.46 1.89 -0.54 1.71 -2.24 0.17 -5.01 114.28 115.71 3dxj n THR 788 Ca -0.06 -3.88 -0.29 0.00 -2.27 0.00 0.00 64.05 57.55 3dxj n THR 788 Cb 0.48 -0.25 0.23 0.00 -2.10 0.00 0.00 70.33 68.69 3dxj n THR 788 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3dxj n SER 789 N -0.50 -1.50 -4.43 3.42 7.64 -1.20 -4.31 113.62 112.74 3dxj n SER 789 Ca 0.27 -0.04 -0.44 0.00 1.01 0.00 0.00 58.87 59.67 3dxj n SER 789 Cb 0.82 -1.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.70 3dxj n SER 789 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3dxj s LEU 790 N -6.13 5.12 0.52 -3.43 2.96 0.82 -4.80 118.68 113.75 3dxj s LEU 790 Ca 0.66 -1.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 3dxj s LEU 790 Cb -0.23 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.11 3dxj s LEU 790 CO 0.64 -0.81 0.73 -0.13 -1.32 0.00 0.00 176.35 175.46 3dxj s ARG 791 N 2.35 2.61 -0.44 1.98 1.81 -1.26 0.11 118.95 126.11 3dxj s ARG 791 Ca 0.12 -0.88 -0.28 0.00 -1.72 0.00 0.00 55.73 52.98 3dxj s ARG 791 Cb -0.20 -2.55 0.03 0.00 -0.45 0.00 0.00 34.95 31.77 3dxj s ARG 791 CO 0.11 -0.61 1.05 0.08 -0.68 0.00 0.00 175.30 175.24 3dxj s VAL 792 N -2.67 4.36 0.71 3.52 1.01 0.16 -4.71 120.40 122.78 3dxj s VAL 792 Ca 0.57 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 3dxj s VAL 792 Cb -0.10 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 3dxj s VAL 792 CO 0.37 -0.85 0.47 -2.65 0.00 0.00 0.00 175.10 172.44 3dxj n PRO 793 N 7.43 0.29 0.00 2.72 -0.02 -1.26 0.17 135.00 144.32 3dxj n PRO 793 Ca 0.10 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3dxj n PRO 793 Cb 0.49 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3dxj n PRO 793 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dxj n PRO 794 N -0.54 -1.15 0.00 0.52 -0.04 -1.26 -4.07 135.00 128.45 3dxj n PRO 794 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3dxj n PRO 794 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 3dxj n PRO 794 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dxj n GLY 795 N 0.92 2.25 3.83 0.55 0.00 -1.26 -4.81 105.19 106.67 3dxj n GLY 795 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 3dxj n GLY 795 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 796 N 0.00 1.92 0.00 1.61 0.41 -1.26 -4.84 118.70 116.54 3dxj s GLU 796 Ca 0.00 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 3dxj s GLU 796 Cb 0.00 0.60 0.00 0.00 -1.78 0.00 0.00 34.13 32.95 3dxj s GLU 796 CO 0.00 -0.89 0.00 0.41 -0.49 0.00 0.00 175.26 174.29 3dxj n GLY 797 N -0.50 1.73 0.00 -1.39 0.00 -1.26 -4.47 105.19 99.30 3dxj n GLY 797 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3dxj n GLY 797 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dxj n GLY 798 N 2.19 0.21 3.22 -0.02 0.00 -0.48 -4.80 105.19 105.52 3dxj n GLY 798 Ca 0.00 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.10 3dxj n GLY 798 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dxj s ILE 799 N -1.29 1.35 0.90 -0.61 -4.36 0.35 0.76 121.20 118.31 3dxj s ILE 799 Ca 0.00 -1.43 -0.12 0.00 -0.26 0.00 0.00 60.65 58.84 3dxj s ILE 799 Cb 0.00 -1.29 0.13 0.00 1.25 0.00 0.00 42.46 42.55 3dxj s ILE 799 CO 0.00 -0.18 1.11 -0.69 0.24 0.00 0.00 174.94 175.41 3dxj s VAL 800 N -1.32 2.43 0.00 8.37 1.01 -0.85 0.14 120.40 130.18 3dxj s VAL 800 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3dxj s VAL 800 Cb -0.10 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3dxj s VAL 800 CO 0.03 -0.18 0.00 1.33 0.00 0.00 0.00 175.10 176.28 3dxj n VAL 801 N -3.82 0.00 -3.61 2.92 0.24 -0.93 -2.80 118.33 110.32 3dxj n VAL 801 Ca 0.06 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.31 3dxj n VAL 801 Cb 0.57 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.90 3dxj n VAL 801 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3dxj s ARG 802 N -0.35 0.28 0.17 7.34 3.52 -1.24 -4.81 118.95 123.85 3dxj s ARG 802 Ca 0.00 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 3dxj s ARG 802 Cb 0.00 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 3dxj s ARG 802 CO 0.00 -0.09 0.03 0.95 -0.81 0.00 0.00 175.30 175.38 3dxj s THR 803 N -1.19 0.49 -0.00 4.11 -4.23 -1.26 -0.94 115.64 112.63 3dxj s THR 803 Ca 0.05 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3dxj s THR 803 Cb -0.01 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.69 3dxj s THR 803 CO -0.04 -0.43 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.92 3dxj s VAL 804 N -3.78 0.05 -0.08 2.29 1.01 -0.57 -5.00 120.40 114.31 3dxj s VAL 804 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3dxj s VAL 804 Cb 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.40 3dxj s VAL 804 CO 0.04 0.02 -0.06 -0.60 0.00 0.00 0.00 175.10 174.50 3dxj s ARG 805 N 0.07 1.25 -0.06 2.72 3.52 -1.26 -1.51 118.95 123.68 3dxj s ARG 805 Ca -0.00 -0.18 0.05 0.00 -0.13 0.00 0.00 55.73 55.46 3dxj s ARG 805 Cb -0.01 -1.30 -0.02 0.00 -1.56 0.00 0.00 34.95 32.06 3dxj s ARG 805 CO -0.00 -0.19 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.59 3dxj s LEU 806 N 1.44 2.43 -0.45 -0.88 1.43 -0.80 -5.02 118.68 116.84 3dxj s LEU 806 Ca -0.01 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3dxj s LEU 806 Cb -0.13 -1.47 0.18 0.00 0.03 0.00 0.00 46.19 44.80 3dxj s LEU 806 CO -0.04 0.29 0.51 -1.14 0.23 0.00 0.00 176.35 176.20 3dxj n ARG 807 N 2.65 0.36 -1.36 1.70 0.63 -1.26 -0.29 116.66 119.08 3dxj n ARG 807 Ca -0.17 -2.72 -0.13 0.00 -0.92 0.00 0.00 57.85 53.91 3dxj n ARG 807 Cb 0.52 -1.57 -0.06 0.00 0.45 0.00 0.00 32.46 31.81 3dxj n ARG 807 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3dxj n ARG 808 N 2.76 -1.35 -1.16 -0.14 5.12 -1.01 -4.51 116.66 116.37 3dxj n ARG 808 Ca 0.25 0.80 -0.17 0.00 -1.93 0.00 0.00 57.85 56.79 3dxj n ARG 808 Cb 0.52 -5.03 -0.18 0.00 -1.16 0.00 0.00 32.46 26.61 3dxj n ARG 808 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dxj n GLY 809 N -0.20 -0.39 0.40 -0.13 0.00 -1.26 -4.69 105.19 98.92 3dxj n GLY 809 Ca -0.13 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.05 3dxj n GLY 809 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dxj h ASP 810 N 8.50 0.00 0.00 1.61 3.32 -1.84 0.57 116.42 128.57 3dxj h ASP 810 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3dxj h ASP 810 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3dxj h ASP 810 CO 1.26 0.00 0.00 -0.81 -1.72 0.00 0.00 179.24 177.97 3dxj n PRO 811 N -3.17 0.00 0.00 3.56 -0.04 -1.26 -4.44 135.00 129.65 3dxj n PRO 811 Ca 0.07 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3dxj n PRO 811 Cb 0.83 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 3dxj n PRO 811 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dxj n GLY 812 N -1.13 -0.01 3.67 0.55 0.00 -0.65 -5.13 105.19 102.50 3dxj n GLY 812 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3dxj n GLY 812 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 813 N 0.00 3.09 -0.37 1.61 1.01 0.19 -4.91 120.40 121.03 3dxj s VAL 813 Ca 0.00 0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.37 3dxj s VAL 813 Cb 0.00 -3.22 0.46 0.00 0.00 0.00 0.00 36.38 33.62 3dxj s VAL 813 CO 0.00 -0.02 1.38 -1.84 0.00 0.00 0.00 175.10 174.62 3dxj n GLU 814 N 6.57 3.34 -0.77 2.72 0.28 -1.26 -4.60 120.64 126.93 3dxj n GLU 814 Ca 0.18 -3.94 -0.29 0.00 -0.16 0.00 0.00 57.16 52.95 3dxj n GLU 814 Cb 0.41 -2.26 -0.03 0.00 1.43 0.00 0.00 31.44 30.99 3dxj n GLU 814 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3dxj n LEU 815 N -0.77 -0.29 -4.56 -1.84 4.77 -1.26 -4.80 117.00 108.24 3dxj n LEU 815 Ca 0.47 0.60 -0.39 0.00 -0.03 0.00 0.00 56.01 56.67 3dxj n LEU 815 Cb 0.90 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 3dxj n LEU 815 CO 0.47 -1.25 0.39 0.29 -1.33 0.00 0.00 177.39 175.96 3dxj n LYS 816 N 0.68 0.86 -1.16 3.23 4.01 -1.26 -4.80 118.16 119.72 3dxj n LYS 816 Ca 0.10 0.33 -0.36 0.00 -0.51 0.00 0.00 58.31 57.87 3dxj n LYS 816 Cb 0.08 -1.97 0.08 0.00 -0.51 0.00 0.00 35.03 32.70 3dxj n LYS 816 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 3dxj n PRO 817 N -0.43 0.17 0.00 1.97 -0.02 -1.26 -1.47 135.00 133.96 3dxj n PRO 817 Ca 0.12 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3dxj n PRO 817 Cb 0.45 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3dxj n PRO 817 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 818 N 1.70 2.20 3.55 -1.23 0.00 -1.26 -4.94 105.19 105.21 3dxj n GLY 818 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3dxj n GLY 818 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 819 N -1.57 4.96 -0.06 1.61 1.01 -0.55 0.14 120.40 125.95 3dxj s VAL 819 Ca 0.00 0.37 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 3dxj s VAL 819 Cb 0.00 -4.03 -0.21 0.00 0.00 0.00 0.00 36.38 32.14 3dxj s VAL 819 CO 0.00 -0.30 1.07 0.03 0.00 0.00 0.00 175.10 175.90 3dxj h ARG 820 N 8.52 -0.03 -3.32 2.72 3.08 0.48 -3.44 114.38 122.38 3dxj h ARG 820 Ca -0.27 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 3dxj h ARG 820 Cb 1.12 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 3dxj h ARG 820 CO 0.81 0.58 0.11 -1.83 -1.07 0.00 0.00 179.97 178.57 3dxj s GLU 821 N -3.57 1.95 0.05 0.04 -1.05 -1.14 -2.40 118.70 112.59 3dxj s GLU 821 Ca -0.16 -1.36 -0.10 0.00 -0.15 0.00 0.00 54.97 53.20 3dxj s GLU 821 Cb 0.00 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.26 3dxj s GLU 821 CO 0.65 -0.88 0.21 0.14 0.95 0.00 0.00 175.26 176.33 3dxj s VAL 822 N -3.12 0.11 -0.01 1.83 -7.23 0.60 0.03 120.40 112.61 3dxj s VAL 822 Ca 0.18 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 3dxj s VAL 822 Cb -0.04 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.89 3dxj s VAL 822 CO 0.12 -0.50 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.61 3dxj s VAL 823 N -2.84 0.84 -0.05 1.32 1.01 -0.95 -1.90 120.40 117.83 3dxj s VAL 823 Ca -0.03 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3dxj s VAL 823 Cb 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 3dxj s VAL 823 CO -0.05 0.24 -0.23 -0.13 0.00 0.00 0.00 175.10 174.93 3dxj s ARG 824 N -0.12 2.29 -0.20 2.72 0.52 -0.57 -1.44 118.95 122.16 3dxj s ARG 824 Ca 0.02 -0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 54.39 3dxj s ARG 824 Cb -0.06 -1.98 0.05 0.00 0.52 0.00 0.00 34.95 33.49 3dxj s ARG 824 CO -0.00 0.37 -0.03 0.08 0.02 0.00 0.00 175.30 175.74 3dxj s VAL 825 N -0.17 1.10 -0.33 3.52 1.01 -0.75 -1.51 120.40 123.26 3dxj s VAL 825 Ca -0.02 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 3dxj s VAL 825 Cb -0.13 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 3dxj s VAL 825 CO 0.03 -0.06 0.61 -0.31 0.00 0.00 0.00 175.10 175.37 3dxj s TYR 826 N 1.61 3.18 0.03 5.22 1.51 -0.11 -2.78 117.35 126.01 3dxj s TYR 826 Ca -0.02 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.48 3dxj s TYR 826 Cb -0.17 -3.03 -0.04 0.00 -0.11 0.00 0.00 41.96 38.61 3dxj s TYR 826 CO -0.07 -0.54 0.06 0.08 -1.11 0.00 0.00 175.55 173.97 3dxj s VAL 827 N 2.61 4.51 0.27 0.71 1.01 -0.46 -2.20 120.40 126.85 3dxj s VAL 827 Ca 0.24 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.73 3dxj s VAL 827 Cb -0.15 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 3dxj s VAL 827 CO 0.13 0.27 -0.19 0.00 0.00 0.00 0.00 175.10 175.31 3dxj s ALA 828 N -1.24 2.66 -0.28 5.51 0.00 0.38 -0.87 121.76 127.92 3dxj s ALA 828 Ca 0.24 -1.85 -0.22 0.00 0.00 0.00 0.00 51.96 50.13 3dxj s ALA 828 Cb -0.12 -0.24 0.10 0.00 0.00 0.00 0.00 23.12 22.86 3dxj s ALA 828 CO 0.16 0.26 0.84 1.14 0.00 0.00 0.00 175.76 178.16 3dxj s GLN 829 N -3.52 0.65 -1.26 0.00 -2.07 0.56 -0.50 119.66 113.53 3dxj s GLN 829 Ca 0.29 0.88 -0.13 0.00 -1.82 0.00 0.00 55.36 54.58 3dxj s GLN 829 Cb -0.05 0.26 0.15 0.00 -1.09 0.00 0.00 33.01 32.29 3dxj s GLN 829 CO 0.14 -0.10 1.66 1.63 -1.32 0.00 0.00 175.29 177.31 3dxj n LYS 830 N 3.01 3.39 -1.55 9.60 5.02 -1.26 0.18 118.16 136.54 3dxj n LYS 830 Ca -0.15 -3.59 -0.38 0.00 -2.02 0.00 0.00 58.31 52.16 3dxj n LYS 830 Cb 0.56 -3.08 -0.04 0.00 -0.02 0.00 0.00 35.03 32.45 3dxj n LYS 830 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dxj n ARG 831 N 5.51 1.18 -2.56 1.97 1.74 0.02 -4.80 116.66 119.71 3dxj n ARG 831 Ca 0.40 0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 57.36 3dxj n ARG 831 Cb 0.41 -3.31 0.07 0.00 -1.02 0.00 0.00 32.46 28.60 3dxj n ARG 831 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3dxj s LYS 832 N 7.91 2.17 0.65 5.56 2.20 -1.26 -0.83 119.74 136.14 3dxj s LYS 832 Ca 1.00 -0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 55.62 3dxj s LYS 832 Cb -0.26 -2.39 -0.00 0.00 -1.51 0.00 0.00 37.83 33.66 3dxj s LYS 832 CO 0.29 -1.06 1.11 -1.17 -0.36 0.00 0.00 175.35 174.17 3dxj s LEU 833 N -4.97 3.41 -0.16 5.43 2.96 -0.14 -4.89 118.68 120.32 3dxj s LEU 833 Ca 0.61 2.03 -0.33 0.00 -0.22 0.00 0.00 54.13 56.21 3dxj s LEU 833 Cb -0.08 -4.55 0.14 0.00 0.50 0.00 0.00 46.19 42.19 3dxj s LEU 833 CO 0.41 -1.62 1.14 0.00 -1.32 0.00 0.00 176.35 174.96 3dxj s GLN 834 N -4.03 0.41 -0.34 1.98 -2.07 -1.26 -5.03 119.66 109.31 3dxj s GLN 834 Ca 0.68 -0.11 -0.36 0.00 -1.82 0.00 0.00 55.36 53.74 3dxj s GLN 834 Cb -0.21 0.19 -0.12 0.00 -1.09 0.00 0.00 33.01 31.77 3dxj s GLN 834 CO 0.41 -0.17 2.14 1.55 -1.32 0.00 0.00 175.29 177.89 3dxj n VAL 835 N 0.00 0.20 0.00 3.63 3.14 -1.26 -1.22 118.33 122.82 3dxj n VAL 835 Ca -0.02 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 3dxj n VAL 835 Cb 0.59 -1.53 0.00 0.00 -1.06 0.00 0.00 33.84 31.84 3dxj n VAL 835 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3dxj n GLY 836 N 6.35 3.81 3.44 7.55 0.00 -1.14 -4.99 105.19 120.20 3dxj n GLY 836 Ca 0.40 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 3dxj n GLY 836 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dxj n ASP 837 N 0.00 -1.33 -4.56 1.61 8.00 -0.35 -4.45 116.55 115.47 3dxj n ASP 837 Ca 0.00 0.77 -0.31 0.00 0.71 0.00 0.00 54.79 55.96 3dxj n ASP 837 Cb 0.00 -1.12 -0.11 0.00 -0.02 0.00 0.00 41.12 39.88 3dxj n ASP 837 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3dxj s LYS 838 N -1.80 2.29 0.28 -1.24 -2.85 -1.26 -2.52 119.74 112.64 3dxj s LYS 838 Ca 0.66 -0.89 0.03 0.00 -1.00 0.00 0.00 55.97 54.77 3dxj s LYS 838 Cb -0.49 -2.36 -0.06 0.00 -2.06 0.00 0.00 37.83 32.86 3dxj s LYS 838 CO 0.57 0.55 0.04 -0.51 0.10 0.00 0.00 175.35 176.10 3dxj s LEU 839 N -1.72 2.11 -0.26 2.77 1.43 -0.68 0.62 118.68 122.96 3dxj s LEU 839 Ca 0.18 -1.31 -0.26 0.00 -1.03 0.00 0.00 54.13 51.71 3dxj s LEU 839 Cb -0.11 -0.29 0.12 0.00 0.03 0.00 0.00 46.19 45.94 3dxj s LEU 839 CO 0.09 -0.58 1.02 0.00 0.23 0.00 0.00 176.35 177.11 3dxj s ALA 840 N -3.40 -1.96 0.44 4.21 0.00 -0.82 -1.77 121.76 118.47 3dxj s ALA 840 Ca 0.33 1.82 -0.02 0.00 0.00 0.00 0.00 51.96 54.10 3dxj s ALA 840 Cb 0.07 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3dxj s ALA 840 CO 0.13 -0.25 0.68 0.54 0.00 0.00 0.00 175.76 176.86 3dxj s ASN 841 N -0.01 6.07 0.28 0.00 2.20 -1.14 -1.44 114.94 120.89 3dxj s ASN 841 Ca 0.02 0.55 0.14 0.00 -0.94 0.00 0.00 52.86 52.63 3dxj s ASN 841 Cb -0.04 -1.90 0.77 0.00 -2.00 0.00 0.00 41.25 38.08 3dxj s ASN 841 CO -0.05 -0.57 1.36 0.54 -2.94 0.00 0.00 177.10 175.44 3dxj n ARG 842 N -2.08 0.09 -1.13 3.55 1.74 -1.25 -3.14 116.66 114.44 3dxj n ARG 842 Ca -0.01 0.56 -0.25 0.00 -0.77 0.00 0.00 57.85 57.39 3dxj n ARG 842 Cb 0.56 -1.98 0.05 0.00 -1.02 0.00 0.00 32.46 30.07 3dxj n ARG 842 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3dxj n HIS 843 N -2.02 2.24 -0.58 -1.55 8.25 -1.26 -4.39 115.22 115.92 3dxj n HIS 843 Ca -0.01 -2.39 0.00 0.00 -0.26 0.00 0.00 57.72 55.06 3dxj n HIS 843 Cb 0.19 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.12 3dxj n HIS 843 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dxj n GLY 844 N -0.13 0.12 3.59 -1.41 0.00 -1.16 -4.70 105.19 101.49 3dxj n GLY 844 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 3dxj n GLY 844 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dxj s ASN 845 N -2.12 6.48 0.43 1.61 3.84 -1.26 -4.79 114.94 119.13 3dxj s ASN 845 Ca 0.00 0.28 0.07 0.00 0.21 0.00 0.00 52.86 53.42 3dxj s ASN 845 Cb 0.00 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.16 3dxj s ASN 845 CO 0.00 -1.43 0.58 -0.75 -2.79 0.00 0.00 177.10 172.72 3dxj s LYS 846 N 4.84 2.81 0.00 0.43 2.20 -1.26 -2.90 119.74 125.86 3dxj s LYS 846 Ca 0.46 -1.19 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 3dxj s LYS 846 Cb -0.08 -2.74 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 3dxj s LYS 846 CO 0.28 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 3dxj n GLY 847 N -1.89 1.17 3.41 5.54 0.00 -0.73 -4.86 105.19 107.84 3dxj n GLY 847 Ca 0.08 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3dxj n GLY 847 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxj s VAL 848 N -2.00 2.47 -0.77 1.61 1.01 -1.15 -1.68 120.40 119.89 3dxj s VAL 848 Ca 0.00 -1.39 -0.26 0.00 0.00 0.00 0.00 61.98 60.33 3dxj s VAL 848 Cb 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 36.38 34.21 3dxj s VAL 848 CO 0.00 0.28 2.42 0.52 0.00 0.00 0.00 175.10 178.32 3dxj n VAL 849 N 1.45 -0.01 0.16 2.92 0.31 -1.05 -0.28 118.33 121.84 3dxj n VAL 849 Ca -0.17 -0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 63.52 3dxj n VAL 849 Cb 0.52 -2.06 -0.07 0.00 -0.91 0.00 0.00 33.84 31.32 3dxj n VAL 849 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dxj h ALA 850 N 13.29 -0.46 -2.19 3.52 0.00 0.11 -3.03 119.26 130.50 3dxj h ALA 850 Ca -0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3dxj h ALA 850 Cb 1.02 0.18 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 3dxj h ALA 850 CO 1.02 -0.51 0.04 0.21 0.00 0.00 0.00 179.25 180.00 3dxj s LYS 851 N -3.97 0.81 -0.09 0.00 2.20 -1.08 -4.93 119.74 112.68 3dxj s LYS 851 Ca -0.12 0.62 -0.04 0.00 -0.36 0.00 0.00 55.97 56.07 3dxj s LYS 851 Cb 0.01 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 3dxj s LYS 851 CO 0.43 -0.16 0.09 0.42 -0.36 0.00 0.00 175.35 175.77 3dxj s ILE 852 N -0.20 4.99 0.05 5.43 1.01 -1.26 0.23 121.20 131.45 3dxj s ILE 852 Ca -0.04 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.64 3dxj s ILE 852 Cb -0.03 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 3dxj s ILE 852 CO 0.03 0.57 -0.20 -0.76 0.00 0.00 0.00 174.94 174.59 3dxj s LEU 853 N -1.10 2.55 -0.28 2.97 1.43 1.98 -4.81 118.68 121.41 3dxj s LEU 853 Ca 0.16 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 3dxj s LEU 853 Cb -0.12 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3dxj s LEU 853 CO 0.05 0.24 2.07 -2.84 0.23 0.00 0.00 176.35 176.10 3dxj s PRO 854 N -1.52 3.13 0.16 1.29 0.02 -1.26 -0.28 135.00 136.54 3dxj s PRO 854 Ca 0.15 1.74 0.13 0.00 0.02 0.00 0.00 61.00 63.04 3dxj s PRO 854 Cb -0.10 -4.32 0.52 0.00 0.02 0.00 0.00 34.50 30.62 3dxj s PRO 854 CO 0.05 -2.10 0.50 1.55 -0.33 0.00 0.00 177.00 176.68 3dxj n VAL 855 N 7.64 -0.04 0.07 3.83 3.14 -1.26 -1.72 118.33 129.99 3dxj n VAL 855 Ca 0.27 0.53 -0.06 0.00 -2.96 0.00 0.00 64.34 62.12 3dxj n VAL 855 Cb 0.46 -0.88 -0.04 0.00 -1.06 0.00 0.00 33.84 32.33 3dxj n VAL 855 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3dxj h GLU 856 N 0.00 -0.30 0.00 1.45 3.07 -1.90 -2.62 114.58 114.28 3dxj h GLU 856 Ca 0.29 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 3dxj h GLU 856 Cb 1.07 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 3dxj h GLU 856 CO -0.08 -0.20 -0.03 0.38 -1.40 0.00 0.00 179.01 177.69 3dxj h ASP 857 N -0.31 0.00 -2.47 1.42 -0.00 -1.32 -3.36 116.42 110.37 3dxj h ASP 857 Ca -0.01 0.00 -0.53 0.00 -0.00 0.00 0.00 57.03 56.49 3dxj h ASP 857 Cb 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 39.65 3dxj h ASP 857 CO -0.07 0.03 1.16 -0.32 -0.00 0.00 0.00 179.24 180.04 3dxj s MET 858 N -4.34 4.14 0.38 4.15 1.75 -0.99 -2.58 119.30 121.81 3dxj s MET 858 Ca -0.04 2.58 -0.25 0.00 -1.25 0.00 0.00 55.69 56.72 3dxj s MET 858 Cb 0.14 -3.87 -0.12 0.00 2.84 0.00 0.00 34.83 33.82 3dxj s MET 858 CO 0.52 -0.89 0.95 -2.30 -0.65 0.00 0.00 175.02 172.65 3dxj n PRO 859 N 6.58 1.26 -4.34 4.11 -0.02 -1.26 -4.15 135.00 137.17 3dxj n PRO 859 Ca 0.19 0.45 -0.20 0.00 -2.02 0.00 0.00 63.50 61.92 3dxj n PRO 859 Cb 0.40 -1.91 -0.09 0.00 -0.02 0.00 0.00 33.50 31.88 3dxj n PRO 859 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3dxj s HIS 860 N -1.23 1.65 0.55 6.00 -3.43 -1.11 -0.74 115.29 116.99 3dxj s HIS 860 Ca 0.62 -1.44 0.09 0.00 -0.80 0.00 0.00 55.06 53.53 3dxj s HIS 860 Cb -0.61 -0.85 0.08 0.00 -1.43 0.00 0.00 32.58 29.77 3dxj s HIS 860 CO 0.58 -0.59 0.76 -0.51 -2.00 0.00 0.00 174.74 172.99 3dxj s LEU 861 N -3.40 3.19 0.67 5.38 1.43 -0.03 -2.72 118.68 123.20 3dxj s LEU 861 Ca 0.35 -0.76 0.34 0.00 -1.03 0.00 0.00 54.13 53.03 3dxj s LEU 861 Cb 0.04 -1.81 1.86 0.00 0.03 0.00 0.00 46.19 46.31 3dxj s LEU 861 CO 0.19 -1.26 2.05 1.55 0.23 0.00 0.00 176.35 179.11 3dxj h PRO 862 N 0.23 0.00 -1.10 1.29 0.13 -1.91 -1.91 132.00 128.73 3dxj h PRO 862 Ca -0.32 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.33 3dxj h PRO 862 Cb 1.29 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.17 3dxj h PRO 862 CO 0.41 0.00 0.63 -0.40 -0.23 0.00 0.00 178.00 178.41 3dxj n ASP 863 N -2.94 5.50 -0.18 1.44 5.75 -1.26 -4.89 116.55 119.97 3dxj n ASP 863 Ca -0.02 -3.42 -0.02 0.00 -0.01 0.00 0.00 54.79 51.32 3dxj n ASP 863 Cb 0.29 -0.90 -0.01 0.00 -1.03 0.00 0.00 41.12 39.48 3dxj n ASP 863 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dxj n GLY 864 N -0.64 0.19 3.61 6.12 0.00 -0.72 -4.92 105.19 108.83 3dxj n GLY 864 Ca 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 3dxj n GLY 864 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dxj s THR 865 N -0.95 5.08 0.64 2.61 -4.23 -1.26 -4.85 115.64 112.68 3dxj s THR 865 Ca 0.00 0.78 -0.07 0.00 -1.18 0.00 0.00 61.69 61.22 3dxj s THR 865 Cb 0.00 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 70.05 3dxj s THR 865 CO 0.00 0.07 0.97 -2.16 -0.54 0.00 0.00 174.62 172.96 3dxj s PRO 866 N 2.28 2.70 0.00 3.99 0.04 -1.26 -0.85 135.00 141.90 3dxj s PRO 866 Ca 0.20 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.25 3dxj s PRO 866 Cb -0.16 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3dxj s PRO 866 CO 0.10 -0.91 0.00 1.33 0.04 0.00 0.00 177.00 177.55 3dxj n VAL 867 N -2.76 0.00 0.00 -0.36 0.24 0.09 -4.90 118.33 110.63 3dxj n VAL 867 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3dxj n VAL 867 Cb 0.58 -1.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.24 3dxj n VAL 867 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3dxj n ASP 868 N -2.15 1.43 -4.19 -1.34 8.00 0.07 -4.76 116.55 113.61 3dxj n ASP 868 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 3dxj n ASP 868 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 3dxj n ASP 868 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3dxj s VAL 869 N -1.97 1.07 -0.25 2.53 0.11 -1.03 0.24 120.40 121.10 3dxj s VAL 869 Ca 0.00 -1.53 0.01 0.00 -2.93 0.00 0.00 61.98 57.52 3dxj s VAL 869 Cb 0.00 -1.28 0.07 0.00 -1.53 0.00 0.00 36.38 33.64 3dxj s VAL 869 CO 0.00 -0.42 -0.04 -0.63 -3.33 0.00 0.00 175.10 170.69 3dxj s ILE 870 N -1.97 1.54 -0.14 7.04 1.01 -1.24 -1.66 121.20 125.79 3dxj s ILE 870 Ca 0.03 -1.31 -0.13 0.00 0.00 0.00 0.00 60.65 59.24 3dxj s ILE 870 Cb -0.06 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 3dxj s ILE 870 CO 0.01 -0.17 0.29 -0.76 0.00 0.00 0.00 174.94 174.31 3dxj s LEU 871 N 1.38 4.29 0.11 2.97 1.43 -1.24 -3.91 118.68 123.70 3dxj s LEU 871 Ca -0.04 0.56 -0.31 0.00 -1.03 0.00 0.00 54.13 53.31 3dxj s LEU 871 Cb -0.19 -2.37 -0.08 0.00 0.03 0.00 0.00 46.19 43.59 3dxj s LEU 871 CO -0.07 0.16 1.38 0.21 0.23 0.00 0.00 176.35 178.26 3dxj s ASN 872 N 0.12 6.83 0.39 2.29 3.84 -1.24 0.28 114.94 127.46 3dxj s ASN 872 Ca 0.17 2.32 0.28 0.00 0.21 0.00 0.00 52.86 55.84 3dxj s ASN 872 Cb -0.13 -2.59 1.05 0.00 -0.55 0.00 0.00 41.25 39.03 3dxj s ASN 872 CO 0.05 -0.65 1.82 -0.65 -2.79 0.00 0.00 177.10 174.88 3dxj h PRO 873 N 6.78 0.00 -0.15 0.43 0.11 -1.89 -3.13 132.00 134.16 3dxj h PRO 873 Ca -0.42 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 3dxj h PRO 873 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3dxj h PRO 873 CO 0.86 0.00 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.33 3dxj h LEU 874 N 0.00 0.26 -1.68 2.35 3.38 -1.94 -3.11 115.31 114.57 3dxj h LEU 874 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dxj h LEU 874 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3dxj h LEU 874 CO 0.00 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.67 3dxj n GLY 875 N -0.54 0.49 1.39 0.83 0.00 -1.18 -3.86 105.19 102.32 3dxj n GLY 875 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3dxj n GLY 875 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dxj n VAL 876 N 0.70 0.68 -0.23 1.61 0.31 -1.17 -4.54 118.33 115.69 3dxj n VAL 876 Ca 0.00 0.23 -0.05 0.00 -0.01 0.00 0.00 64.34 64.51 3dxj n VAL 876 Cb 0.11 -1.12 0.01 0.00 -0.91 0.00 0.00 33.84 31.93 3dxj n VAL 876 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3dxj h PRO 877 N 0.00 -0.13 -0.73 5.55 0.13 -1.77 0.64 132.00 135.68 3dxj h PRO 877 Ca 0.00 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.19 3dxj h PRO 877 Cb 0.00 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.11 3dxj h PRO 877 CO 0.00 -0.09 0.44 0.66 -0.23 0.00 0.00 178.00 178.78 3dxj h SER 878 N -0.14 0.68 1.77 1.44 4.64 -1.90 -2.90 113.55 117.15 3dxj h SER 878 Ca 0.25 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3dxj h SER 878 Cb 0.56 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3dxj h SER 878 CO -0.73 0.45 -0.03 0.03 -0.87 0.00 0.00 176.83 175.68 3dxj h ARG 879 N 0.82 0.00 -6.46 4.77 -0.00 -0.98 -3.48 114.38 109.04 3dxj h ARG 879 Ca 0.31 0.00 -0.49 0.00 -0.50 0.00 0.00 59.98 59.30 3dxj h ARG 879 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.09 3dxj h ARG 879 CO -0.16 0.03 -0.92 -1.33 0.00 0.00 0.00 179.97 177.60 3dxj n MET 880 N -3.11 -2.32 -3.15 0.04 2.81 0.19 -4.47 117.12 107.12 3dxj n MET 880 Ca 0.03 0.38 -0.23 0.00 -1.81 0.00 0.00 57.70 56.08 3dxj n MET 880 Cb 0.50 -4.20 -0.05 0.00 -0.71 0.00 0.00 33.22 28.76 3dxj n MET 880 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3dxj n ASN 881 N -2.82 2.17 0.10 7.83 2.04 -1.26 0.22 115.26 123.54 3dxj n ASN 881 Ca -0.23 -3.21 0.20 0.00 -0.44 0.00 0.00 54.58 50.90 3dxj n ASN 881 Cb 0.65 -0.61 0.75 0.00 -2.53 0.00 0.00 39.78 38.04 3dxj n ASN 881 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 3dxj h LEU 882 N 3.31 0.00 -0.96 -4.53 3.38 -0.42 -3.20 115.31 112.89 3dxj h LEU 882 Ca 0.12 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.26 3dxj h LEU 882 Cb 0.78 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.35 3dxj h LEU 882 CO 0.63 0.00 -0.30 1.23 0.09 0.00 0.00 178.44 180.09 3dxj h GLY 883 N 0.00 0.45 0.53 0.83 0.00 -1.68 0.51 103.07 103.70 3dxj h GLY 883 Ca 0.19 0.40 0.16 0.00 0.00 0.00 0.00 47.33 48.07 3dxj h GLY 883 CO -0.00 -0.30 0.55 0.06 0.00 0.00 0.00 176.54 176.85 3dxj h GLN 884 N -0.01 0.48 0.62 4.80 3.07 -1.88 -0.63 115.11 121.57 3dxj h GLN 884 Ca 0.41 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 59.10 3dxj h GLN 884 Cb 0.66 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.12 3dxj h GLN 884 CO -0.98 0.32 -0.34 0.82 0.09 0.00 0.00 178.83 178.74 3dxj h ILE 885 N 0.50 0.00 -0.75 1.86 1.08 -0.21 0.49 117.51 120.48 3dxj h ILE 885 Ca 0.42 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 65.06 3dxj h ILE 885 Cb 0.90 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.53 3dxj h ILE 885 CO -0.16 0.00 0.10 -0.07 -0.69 0.00 0.00 178.15 177.33 3dxj h LEU 886 N -0.88 -0.15 -0.34 1.44 3.38 -1.29 0.55 115.31 118.02 3dxj h LEU 886 Ca -0.08 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3dxj h LEU 886 Cb 0.69 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 3dxj h LEU 886 CO 0.12 -0.11 -0.51 -0.08 0.09 0.00 0.00 178.44 177.94 3dxj h GLU 887 N 0.18 -0.38 -0.91 1.13 4.81 -0.70 0.13 114.58 118.84 3dxj h GLU 887 Ca 0.42 0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.93 3dxj h GLU 887 Cb 0.75 0.09 -0.14 0.00 0.63 0.00 0.00 28.75 30.08 3dxj h GLU 887 CO -0.59 -0.25 0.35 1.15 -0.73 0.00 0.00 179.01 178.94 3dxj h THR 888 N -0.39 0.36 0.23 0.32 2.02 0.23 0.23 112.91 115.91 3dxj h THR 888 Ca 0.06 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3dxj h THR 888 Cb 0.56 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3dxj h THR 888 CO -0.53 0.05 -0.11 0.45 0.37 0.00 0.00 175.52 175.76 3dxj h HIS 889 N 0.29 -0.29 -0.67 3.16 3.86 0.63 -1.96 115.15 120.18 3dxj h HIS 889 Ca 0.59 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.94 3dxj h HIS 889 Cb 1.21 0.09 -0.12 0.00 1.06 0.00 0.00 27.41 29.66 3dxj h HIS 889 CO -0.17 -0.18 -0.02 1.25 0.86 0.00 0.00 177.93 179.67 3dxj h LEU 890 N -0.38 -0.35 -0.57 2.43 5.85 -0.53 0.98 115.31 122.74 3dxj h LEU 890 Ca -0.03 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3dxj h LEU 890 Cb 0.24 0.32 -0.09 0.00 0.37 0.00 0.00 40.66 41.49 3dxj h LEU 890 CO 0.05 -0.15 -0.57 1.23 -0.34 0.00 0.00 178.44 178.66 3dxj h GLY 891 N 0.09 -0.97 -0.81 3.75 0.00 -0.58 1.22 103.07 105.78 3dxj h GLY 891 Ca 0.35 0.74 0.30 0.00 0.00 0.00 0.00 47.33 48.73 3dxj h GLY 891 CO -0.60 -0.07 0.25 -2.00 0.00 0.00 0.00 176.54 174.12 3dxj h LEU 892 N -0.29 -0.08 0.00 3.11 5.85 -0.01 0.81 115.31 124.70 3dxj h LEU 892 Ca 0.10 0.25 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3dxj h LEU 892 Cb 0.54 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3dxj h LEU 892 CO -0.69 -0.31 0.00 0.00 -0.34 0.00 0.00 178.44 177.10 3dxj n ALA 893 N -2.74 -0.35 -0.65 1.25 0.00 0.39 -2.65 120.51 115.76 3dxj n ALA 893 Ca 0.27 0.00 0.50 0.00 0.00 0.00 0.00 53.44 54.22 3dxj n ALA 893 Cb 0.89 0.00 0.81 0.00 0.00 0.00 0.00 19.45 21.15 3dxj n ALA 893 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dxj h GLY 894 N 0.00 0.03 -0.06 0.00 0.00 0.86 -0.01 103.07 103.90 3dxj h GLY 894 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3dxj h GLY 894 CO 0.00 -0.01 -0.17 -1.82 0.00 0.00 0.00 176.54 174.54 3dxj h TYR 895 N 0.00 -0.51 0.12 5.60 3.20 0.82 0.37 116.97 126.57 3dxj h TYR 895 Ca 0.88 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.77 3dxj h TYR 895 Cb 3.53 0.23 0.00 0.00 1.54 0.00 0.00 36.73 42.03 3dxj h TYR 895 CO -0.00 -0.17 -0.06 0.74 -1.64 0.00 0.00 178.16 177.04 3dxj h PHE 896 N -0.17 -0.14 0.00 -3.82 -1.00 -1.04 -2.71 116.94 108.05 3dxj h PHE 896 Ca 0.01 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3dxj h PHE 896 Cb 0.21 0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.81 3dxj h PHE 896 CO -0.51 0.35 0.00 1.28 -1.61 0.00 0.00 178.31 177.82 3dxj n LEU 897 N -4.88 0.00 -3.95 1.54 4.77 -0.62 -4.73 117.00 109.13 3dxj n LEU 897 Ca -0.08 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.62 3dxj n LEU 897 Cb 0.28 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3dxj n LEU 897 CO 0.27 0.00 -0.30 0.61 -1.33 0.00 0.00 177.39 176.64 3dxj n GLY 898 N -0.72 -0.26 3.10 -0.72 0.00 0.10 -4.91 105.19 101.78 3dxj n GLY 898 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3dxj n GLY 898 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dxj s GLN 899 N -6.60 0.25 0.51 1.61 -2.07 0.35 -4.22 119.66 109.49 3dxj s GLN 899 Ca 0.12 0.31 -0.04 0.00 -1.82 0.00 0.00 55.36 53.93 3dxj s GLN 899 Cb -0.07 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 31.96 3dxj s GLN 899 CO 0.78 -0.04 0.79 1.03 -1.32 0.00 0.00 175.29 176.53 3dxj s ARG 900 N 0.17 3.17 0.26 9.60 0.52 -1.18 -4.21 118.95 127.27 3dxj s ARG 900 Ca -0.00 -0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 3dxj s ARG 900 Cb -0.02 -2.39 -0.05 0.00 0.52 0.00 0.00 34.95 33.01 3dxj s ARG 900 CO -0.00 -0.40 0.07 0.71 0.02 0.00 0.00 175.30 175.70 3dxj s TYR 901 N -2.78 1.56 -0.17 -0.53 1.51 0.51 -1.59 117.35 115.87 3dxj s TYR 901 Ca 0.50 -1.12 -0.03 0.00 -1.01 0.00 0.00 57.07 55.41 3dxj s TYR 901 Cb -0.10 -0.92 0.06 0.00 -0.11 0.00 0.00 41.96 40.88 3dxj s TYR 901 CO 0.43 -0.26 0.05 0.42 -1.11 0.00 0.00 175.55 175.08 3dxj s ILE 902 N -3.66 0.33 -0.36 2.71 1.01 0.11 -0.90 121.20 120.43 3dxj s ILE 902 Ca 0.35 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 3dxj s ILE 902 Cb 0.08 -0.83 0.07 0.00 0.01 0.00 0.00 42.46 41.79 3dxj s ILE 902 CO 0.12 -0.16 0.13 -0.55 0.00 0.00 0.00 174.94 174.48 3dxj s SER 903 N 1.95 5.24 0.96 3.58 0.15 0.28 -2.83 113.70 123.02 3dxj s SER 903 Ca 0.01 -1.50 -0.12 0.00 0.70 0.00 0.00 55.95 55.03 3dxj s SER 903 Cb -0.16 -1.83 0.07 0.00 -1.71 0.00 0.00 66.02 62.38 3dxj s SER 903 CO -0.08 -0.41 0.57 -2.65 1.20 0.00 0.00 173.24 171.87 3dxj n PRO 904 N 4.71 -0.43 -2.50 5.44 -0.02 -1.26 -4.31 135.00 136.64 3dxj n PRO 904 Ca -0.09 -0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 3dxj n PRO 904 Cb 0.43 -1.97 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 3dxj n PRO 904 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3dxj s ILE 905 N -2.44 3.88 -1.41 4.25 2.07 -1.26 -2.47 121.20 123.81 3dxj s ILE 905 Ca 0.59 1.59 -0.07 0.00 -1.41 0.00 0.00 60.65 61.35 3dxj s ILE 905 Cb -0.21 -4.01 0.04 0.00 0.13 0.00 0.00 42.46 38.40 3dxj s ILE 905 CO 0.65 0.26 0.53 0.49 -1.91 0.00 0.00 174.94 174.96 3dxj n PHE 906 N 2.55 -1.87 -1.77 3.50 3.01 -1.26 -4.80 117.46 116.82 3dxj n PHE 906 Ca 0.03 0.48 0.00 0.00 1.01 0.00 0.00 57.45 58.98 3dxj n PHE 906 Cb 0.46 -3.70 0.00 0.00 -0.01 0.00 0.00 39.48 36.23 3dxj n PHE 906 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3dxj n ASP 907 N -2.39 0.00 -0.64 4.37 2.03 -1.03 -5.03 116.55 113.86 3dxj n ASP 907 Ca -0.07 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.27 3dxj n ASP 907 Cb 0.58 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.98 3dxj n ASP 907 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dxj n GLY 908 N 0.00 -1.56 1.61 0.27 0.00 -1.24 -4.27 105.19 100.00 3dxj n GLY 908 Ca 0.00 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 3dxj n GLY 908 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj n ALA 909 N -0.39 -3.34 -3.22 4.61 0.00 -1.26 -4.57 120.51 112.34 3dxj n ALA 909 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 3dxj n ALA 909 Cb 0.09 -0.65 -0.12 0.00 0.00 0.00 0.00 19.45 18.77 3dxj n ALA 909 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dxj s LYS 910 N -0.82 0.30 0.00 0.00 3.01 -1.26 -5.04 119.74 115.93 3dxj s LYS 910 Ca 0.24 0.39 0.00 0.00 -1.01 0.00 0.00 55.97 55.60 3dxj s LYS 910 Cb -0.16 0.12 0.00 0.00 -1.01 0.00 0.00 37.83 36.78 3dxj s LYS 910 CO 0.40 -0.05 0.00 0.39 0.51 0.00 0.00 175.35 176.59 3dxj n GLU 911 N 3.09 0.00 0.18 1.68 1.02 -1.26 0.12 120.64 125.47 3dxj n GLU 911 Ca -0.14 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.84 3dxj n GLU 911 Cb 0.58 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.90 3dxj n GLU 911 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3dxj h PRO 912 N 0.00 -0.78 -1.06 3.49 0.11 -1.98 0.53 132.00 132.31 3dxj h PRO 912 Ca 0.00 0.05 0.35 0.00 0.11 0.00 0.00 66.00 66.51 3dxj h PRO 912 Cb 0.00 0.18 -0.14 0.00 0.11 0.00 0.00 31.00 31.14 3dxj h PRO 912 CO 0.00 -0.52 0.63 0.93 -0.21 0.00 0.00 178.00 178.83 3dxj h GLU 913 N -0.81 0.24 0.00 1.05 5.08 0.47 0.65 114.58 121.26 3dxj h GLU 913 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3dxj h GLU 913 Cb 0.76 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3dxj h GLU 913 CO -0.17 0.16 -0.12 0.82 -1.00 0.00 0.00 179.01 178.70 3dxj h ILE 914 N 0.25 0.00 -0.93 3.13 5.03 -1.09 -2.72 117.51 121.19 3dxj h ILE 914 Ca 0.75 -0.88 0.34 0.00 -0.12 0.00 0.00 64.86 64.95 3dxj h ILE 914 Cb 1.89 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 35.52 3dxj h ILE 914 CO -0.56 0.00 0.32 0.29 -0.68 0.00 0.00 178.15 177.52 3dxj n LYS 915 N -4.43 -0.06 0.21 2.37 4.76 0.18 0.18 118.16 121.36 3dxj n LYS 915 Ca -0.02 1.32 -0.10 0.00 -2.87 0.00 0.00 58.31 56.64 3dxj n LYS 915 Cb 0.06 -2.26 -0.05 0.00 -1.84 0.00 0.00 35.03 30.94 3dxj n LYS 915 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3dxj h GLU 916 N 0.00 -0.59 -0.93 1.97 4.22 0.19 -2.18 114.58 117.26 3dxj h GLU 916 Ca 0.70 0.04 0.26 0.00 0.08 0.00 0.00 59.36 60.44 3dxj h GLU 916 Cb 1.73 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 30.96 3dxj h GLU 916 CO -0.77 -0.40 0.15 -0.07 -2.18 0.00 0.00 179.01 175.74 3dxj h LEU 917 N -0.62 -0.22 -1.30 1.64 3.38 0.22 1.82 115.31 120.23 3dxj h LEU 917 Ca -0.05 0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.34 3dxj h LEU 917 Cb 0.50 0.37 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 3dxj h LEU 917 CO 0.03 -0.27 0.60 -0.07 0.09 0.00 0.00 178.44 178.82 3dxj h LEU 918 N 0.09 0.59 -0.13 1.67 3.38 -0.25 0.21 115.31 120.87 3dxj h LEU 918 Ca 0.58 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.65 3dxj h LEU 918 Cb 1.22 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 3dxj h LEU 918 CO -0.79 0.24 -0.15 0.00 0.09 0.00 0.00 178.44 177.84 3dxj h ALA 919 N 1.61 -0.07 0.52 1.53 0.00 0.34 0.11 119.26 123.31 3dxj h ALA 919 Ca 0.50 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 3dxj h ALA 919 Cb 0.98 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3dxj h ALA 919 CO -0.25 -0.60 -0.47 1.96 0.00 0.00 0.00 179.25 179.89 3dxj h GLN 920 N -0.18 -0.94 -0.93 0.00 4.20 -0.52 -2.86 115.11 113.89 3dxj h GLN 920 Ca 0.09 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.04 3dxj h GLN 920 Cb 0.32 0.21 -0.17 0.00 0.30 0.00 0.00 27.48 28.14 3dxj h GLN 920 CO -0.24 -0.63 -0.27 0.00 -0.67 0.00 0.00 178.83 177.03 3dxj h ALA 921 N -1.01 0.49 -0.97 3.87 0.00 -0.90 -1.12 119.26 119.62 3dxj h ALA 921 Ca -0.07 0.33 0.12 0.00 0.00 0.00 0.00 54.91 55.30 3dxj h ALA 921 Cb 0.84 0.77 -0.14 0.00 0.00 0.00 0.00 17.79 19.26 3dxj h ALA 921 CO -0.03 -0.45 -0.48 0.35 0.00 0.00 0.00 179.25 178.63 3dxj h PHE 922 N -0.01 -1.47 0.00 0.00 3.57 -0.53 -1.38 116.94 117.12 3dxj h PHE 922 Ca 0.41 0.12 0.00 0.00 3.53 0.00 0.00 57.97 62.03 3dxj h PHE 922 Cb 0.66 0.78 0.00 0.00 2.79 0.00 0.00 35.95 40.17 3dxj h PHE 922 CO -0.75 -0.39 0.00 0.39 -2.23 0.00 0.00 178.31 175.33 3dxj n GLU 923 N -5.37 0.00 -0.31 1.11 -0.58 -0.42 0.29 120.64 115.36 3dxj n GLU 923 Ca 0.06 0.44 -0.06 0.00 -0.42 0.00 0.00 57.16 57.18 3dxj n GLU 923 Cb 0.33 -0.89 -0.05 0.00 -0.57 0.00 0.00 31.44 30.27 3dxj n GLU 923 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3dxj n VAL 924 N -0.94 -0.48 0.06 2.62 0.31 -0.87 0.35 118.33 119.39 3dxj n VAL 924 Ca 0.00 1.80 -0.12 0.00 -0.01 0.00 0.00 64.34 66.01 3dxj n VAL 924 Cb 0.00 -2.26 -0.06 0.00 -0.91 0.00 0.00 33.84 30.61 3dxj n VAL 924 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3dxj h TYR 925 N 0.00 -0.97 0.00 3.52 3.20 0.25 -3.36 116.97 119.61 3dxj h TYR 925 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3dxj h TYR 925 Cb 0.35 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.04 3dxj h TYR 925 CO -0.74 -0.44 -0.46 0.34 -1.64 0.00 0.00 178.16 175.22 3dxj n PHE 926 N -5.43 0.04 0.00 -3.82 7.35 0.83 -4.60 117.46 111.84 3dxj n PHE 926 Ca -0.05 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 3dxj n PHE 926 Cb 0.34 -0.27 0.00 0.00 0.35 0.00 0.00 39.48 39.90 3dxj n PHE 926 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dxj n GLY 927 N 1.50 0.00 0.31 7.13 0.00 1.09 0.39 105.19 115.61 3dxj n GLY 927 Ca -0.06 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.15 3dxj n GLY 927 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dxj h LYS 928 N 0.00 0.00 -0.94 1.61 3.64 -1.70 -3.07 116.57 116.11 3dxj h LYS 928 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 3dxj h LYS 928 Cb 0.00 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.68 3dxj h LYS 928 CO 0.00 0.02 -0.43 0.54 -2.27 0.00 0.00 179.45 177.30 3dxj n ARG 929 N -3.26 -0.29 -0.23 1.90 5.12 1.26 0.25 116.66 121.41 3dxj n ARG 929 Ca -0.02 1.44 -0.08 0.00 -1.93 0.00 0.00 57.85 57.25 3dxj n ARG 929 Cb 0.14 -2.12 0.03 0.00 -1.16 0.00 0.00 32.46 29.34 3dxj n ARG 929 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 3dxj h LYS 930 N 0.00 1.06 -1.93 5.56 3.11 -1.43 -1.65 116.57 121.30 3dxj h LYS 930 Ca 0.26 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 3dxj h LYS 930 Cb 0.50 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 3dxj h LYS 930 CO -0.91 0.99 0.00 0.41 -2.81 0.00 0.00 179.45 177.12 3dxj n GLY 931 N -0.56 0.94 0.09 5.01 0.00 0.68 0.26 105.19 111.62 3dxj n GLY 931 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dxj n GLY 931 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxj n GLU 932 N 1.60 0.00 -3.22 1.61 1.02 -0.80 -4.92 120.64 115.93 3dxj n GLU 932 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 3dxj n GLU 932 Cb 0.14 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.61 3dxj n GLU 932 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dxj n GLY 933 N 0.00 -0.25 3.28 0.62 0.00 0.73 -5.02 105.19 104.55 3dxj n GLY 933 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3dxj n GLY 933 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dxj s PHE 934 N -3.19 2.03 0.00 1.61 0.40 -0.67 -4.98 117.98 113.18 3dxj s PHE 934 Ca 0.40 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 3dxj s PHE 934 Cb -0.18 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.11 3dxj s PHE 934 CO 0.49 0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.88 3dxj n GLY 935 N 2.07 4.17 3.75 4.36 0.00 -1.26 -2.90 105.19 115.38 3dxj n GLY 935 Ca -0.16 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 3dxj n GLY 935 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dxj s VAL 936 N 2.25 5.11 0.32 1.61 -7.23 -1.26 -4.97 120.40 116.22 3dxj s VAL 936 Ca 0.00 0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 60.84 3dxj s VAL 936 Cb 0.00 -3.81 -0.10 0.00 0.56 0.00 0.00 36.38 33.03 3dxj s VAL 936 CO 0.00 0.40 1.38 -0.62 -0.31 0.00 0.00 175.10 175.95 3dxj s ASP 937 N 0.13 6.66 0.65 4.85 2.15 -1.26 -4.85 116.67 125.00 3dxj s ASP 937 Ca 0.26 2.75 0.27 0.00 0.43 0.00 0.00 52.55 56.27 3dxj s ASP 937 Cb -0.16 -2.65 1.49 0.00 -0.30 0.00 0.00 42.92 41.30 3dxj s ASP 937 CO 0.12 -0.65 1.83 0.50 -0.17 0.00 0.00 175.17 176.81 3dxj h LYS 938 N 3.77 0.00 0.00 4.34 3.64 -2.01 1.16 116.57 127.47 3dxj h LYS 938 Ca -0.48 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.75 3dxj h LYS 938 Cb 1.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3dxj h LYS 938 CO 0.69 0.00 -1.32 0.00 -2.27 0.00 0.00 179.45 176.54 3dxj h ARG 939 N 0.00 0.00 -0.12 1.90 2.47 -2.00 -3.20 114.38 113.43 3dxj h ARG 939 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.59 3dxj h ARG 939 Cb 0.75 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 3dxj h ARG 939 CO 0.00 0.26 -0.50 0.93 0.56 0.00 0.00 179.97 181.22 3dxj h GLU 940 N 0.00 0.32 0.31 0.04 5.08 0.10 -2.69 114.58 117.75 3dxj h GLU 940 Ca -0.14 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 3dxj h GLU 940 Cb 1.50 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3dxj h GLU 940 CO 0.04 0.75 -0.15 0.28 -1.00 0.00 0.00 179.01 178.93 3dxj h VAL 941 N 0.26 0.66 -0.14 3.13 2.07 -1.57 -2.44 116.25 118.21 3dxj h VAL 941 Ca 0.01 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3dxj h VAL 941 Cb 0.97 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3dxj h VAL 941 CO 0.08 0.12 -0.08 1.21 0.02 0.00 0.00 177.57 178.91 3dxj n GLU 942 N -5.12 -0.06 0.00 1.57 2.13 -1.17 -0.99 120.64 117.00 3dxj n GLU 942 Ca -0.09 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.44 3dxj n GLU 942 Cb 0.27 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.92 3dxj n GLU 942 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dxj n VAL 943 N -3.12 0.00 0.00 6.31 0.31 -1.02 -2.29 118.33 118.51 3dxj n VAL 943 Ca 0.00 1.10 0.00 0.00 -0.01 0.00 0.00 64.34 65.43 3dxj n VAL 943 Cb 0.04 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 3dxj n VAL 943 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3dxj n LEU 944 N -1.25 0.00 0.00 7.52 4.77 -0.16 0.69 117.00 128.57 3dxj n LEU 944 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3dxj n LEU 944 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dxj n LEU 944 CO 0.00 0.00 0.46 -1.14 -1.33 0.00 0.00 177.39 175.38 3dxj n ARG 945 N -3.50 0.00 -0.34 3.23 0.63 -0.38 -0.30 116.66 116.01 3dxj n ARG 945 Ca 0.00 0.92 0.10 0.00 -0.92 0.00 0.00 57.85 57.95 3dxj n ARG 945 Cb 0.00 -1.41 0.28 0.00 0.45 0.00 0.00 32.46 31.78 3dxj n ARG 945 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3dxj h ARG 946 N 0.00 0.74 -0.00 -0.14 2.43 0.28 -2.51 114.38 115.18 3dxj h ARG 946 Ca 0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3dxj h ARG 946 Cb 0.00 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.33 3dxj h ARG 946 CO 0.00 0.49 -0.36 0.00 -1.51 0.00 0.00 179.97 178.59 3dxj h ALA 947 N 1.61 -0.54 0.00 2.80 0.00 0.85 0.53 119.26 124.51 3dxj h ALA 947 Ca 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3dxj h ALA 947 Cb 0.77 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3dxj h ALA 947 CO -0.36 -0.88 0.00 1.05 0.00 0.00 0.00 179.25 179.06 3dxj h GLU 948 N -0.51 0.00 0.00 0.00 4.11 -0.53 0.39 114.58 118.04 3dxj h GLU 948 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3dxj h GLU 948 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3dxj h GLU 948 CO -0.29 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.42 3dxj n LYS 949 N -2.51 0.04 -0.15 1.06 5.02 0.16 -1.47 118.16 120.32 3dxj n LYS 949 Ca -0.01 0.16 0.08 0.00 -2.02 0.00 0.00 58.31 56.53 3dxj n LYS 949 Cb 0.12 -1.57 0.16 0.00 -0.02 0.00 0.00 35.03 33.72 3dxj n LYS 949 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dxj n LEU 950 N -1.65 2.94 -2.78 -0.35 4.77 0.14 -4.96 117.00 115.11 3dxj n LEU 950 Ca 0.05 -1.56 -0.12 0.00 -0.03 0.00 0.00 56.01 54.35 3dxj n LEU 950 Cb 0.27 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3dxj n LEU 950 CO 0.21 0.66 0.08 0.61 -1.33 0.00 0.00 177.39 177.62 3dxj n GLY 951 N 0.97 -0.16 0.02 -0.72 0.00 -0.54 -4.93 105.19 99.83 3dxj n GLY 951 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.14 3dxj n GLY 951 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 952 N -3.26 0.00 -3.81 0.99 4.77 -1.19 -4.97 117.00 109.52 3dxj n LEU 952 Ca -0.20 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.58 3dxj n LEU 952 Cb 0.62 0.07 -0.17 0.00 -2.33 0.00 0.00 43.42 41.61 3dxj n LEU 952 CO 0.45 0.07 -0.38 0.68 -1.33 0.00 0.00 177.39 176.87 3dxj s VAL 953 N -2.50 0.27 -0.14 4.08 -7.23 -1.26 -4.63 120.40 108.99 3dxj s VAL 953 Ca -0.04 0.08 -0.34 0.00 -1.81 0.00 0.00 61.98 59.87 3dxj s VAL 953 Cb 0.05 -0.37 -0.11 0.00 0.56 0.00 0.00 36.38 36.50 3dxj s VAL 953 CO 0.37 0.19 1.95 0.35 -0.31 0.00 0.00 175.10 177.65 3dxj n THR 954 N 4.41 0.52 -0.92 5.32 -2.24 -1.26 -4.58 114.28 115.52 3dxj n THR 954 Ca -0.20 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 3dxj n THR 954 Cb 0.50 -1.90 0.11 0.00 -2.10 0.00 0.00 70.33 66.94 3dxj n THR 954 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3dxj n PRO 955 N 7.01 -0.12 0.00 -0.78 -0.02 -1.26 -3.36 135.00 136.47 3dxj n PRO 955 Ca 0.25 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3dxj n PRO 955 Cb 0.30 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3dxj n PRO 955 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dxj n GLY 956 N 1.56 1.43 3.12 -1.23 0.00 -1.26 -4.99 105.19 103.82 3dxj n GLY 956 Ca 0.07 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3dxj n GLY 956 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxj n LYS 957 N 0.00 -0.07 -1.71 1.61 5.02 -1.21 -4.80 118.16 116.99 3dxj n LYS 957 Ca 0.00 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 3dxj n LYS 957 Cb 0.00 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3dxj n LYS 957 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3dxj n THR 958 N -2.76 0.09 -0.27 -0.18 5.66 -1.26 -4.68 114.28 110.88 3dxj n THR 958 Ca 0.01 -0.02 -0.04 0.00 -3.05 0.00 0.00 64.05 60.95 3dxj n THR 958 Cb 0.55 -2.00 0.01 0.00 -1.55 0.00 0.00 70.33 67.34 3dxj n THR 958 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3dxj h PRO 959 N 7.17 -0.11 -0.23 1.09 0.11 -1.99 1.49 132.00 139.53 3dxj h PRO 959 Ca -0.44 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.73 3dxj h PRO 959 Cb 1.21 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 3dxj h PRO 959 CO 0.95 -0.07 -0.40 1.49 -0.21 0.00 0.00 178.00 179.76 3dxj h GLU 960 N -0.11 -0.39 0.10 1.05 4.81 -2.01 -1.67 114.58 116.35 3dxj h GLU 960 Ca 0.26 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3dxj h GLU 960 Cb 0.56 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 3dxj h GLU 960 CO -0.80 -0.26 -0.23 1.49 -0.73 0.00 0.00 179.01 178.48 3dxj h GLU 961 N -0.41 -0.35 -0.52 1.92 4.57 0.43 -2.43 114.58 117.79 3dxj h GLU 961 Ca 0.11 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.40 3dxj h GLU 961 Cb 0.59 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.17 3dxj h GLU 961 CO -0.45 -0.23 -0.17 1.04 -1.18 0.00 0.00 179.01 178.01 3dxj n GLN 962 N -3.75 -0.09 -0.30 1.92 6.02 0.43 0.27 117.38 121.88 3dxj n GLN 962 Ca -0.04 0.80 0.17 0.00 -0.01 0.00 0.00 57.00 57.92 3dxj n GLN 962 Cb 0.19 -1.19 0.43 0.00 1.02 0.00 0.00 30.24 30.69 3dxj n GLN 962 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3dxj h LEU 963 N 0.00 0.57 -0.30 1.08 3.38 -0.81 0.56 115.31 119.79 3dxj h LEU 963 Ca 0.21 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.28 3dxj h LEU 963 Cb 0.34 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3dxj h LEU 963 CO -0.52 0.20 0.13 0.50 0.09 0.00 0.00 178.44 178.84 3dxj h LYS 964 N 0.56 0.26 -0.40 1.13 3.64 0.39 0.11 116.57 122.26 3dxj h LYS 964 Ca 0.53 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.98 3dxj h LYS 964 Cb 1.11 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.78 3dxj h LYS 964 CO -0.27 0.17 -0.30 1.49 -2.27 0.00 0.00 179.45 178.27 3dxj h GLU 965 N 0.27 -0.22 0.58 1.90 4.81 0.27 -0.84 114.58 121.35 3dxj h GLU 965 Ca 0.13 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3dxj h GLU 965 Cb 0.07 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.51 3dxj h GLU 965 CO -0.11 -0.15 -0.28 -0.07 -0.73 0.00 0.00 179.01 177.67 3dxj h LEU 966 N -0.23 -0.66 -0.86 1.64 4.07 -1.02 -2.84 115.31 115.41 3dxj h LEU 966 Ca 0.18 0.01 0.21 0.00 0.08 0.00 0.00 57.88 58.36 3dxj h LEU 966 Cb 0.52 0.17 -0.16 0.00 1.08 0.00 0.00 40.66 42.27 3dxj h LEU 966 CO -0.53 -0.45 -0.02 0.15 -1.08 0.00 0.00 178.44 176.51 3dxj h PHE 967 N -0.81 -0.11 -0.23 1.13 3.57 -0.63 1.38 116.94 121.25 3dxj h PHE 967 Ca -0.08 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.55 3dxj h PHE 967 Cb 0.61 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3dxj h PHE 967 CO -0.03 -0.33 0.30 -0.07 -2.23 0.00 0.00 178.31 175.96 3dxj h LEU 968 N 0.06 0.00 -1.45 0.59 3.38 -0.91 0.82 115.31 117.80 3dxj h LEU 968 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3dxj h LEU 968 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3dxj h LEU 968 CO -0.79 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.74 3dxj n GLN 969 N -3.59 1.92 -0.98 1.13 6.02 0.47 -4.68 117.38 117.68 3dxj n GLN 969 Ca 0.03 -1.42 0.00 0.00 -0.01 0.00 0.00 57.00 55.60 3dxj n GLN 969 Cb 0.43 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.36 3dxj n GLN 969 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dxj n GLY 970 N 1.14 0.69 3.67 1.08 0.00 0.28 -4.97 105.19 107.09 3dxj n GLY 970 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3dxj n GLY 970 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj s LYS 971 N -0.02 2.40 0.33 1.61 1.02 -1.22 -2.46 119.74 121.40 3dxj s LYS 971 Ca 0.00 -1.29 0.03 0.00 0.02 0.00 0.00 55.97 54.73 3dxj s LYS 971 Cb 0.00 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 3dxj s LYS 971 CO 0.00 0.39 0.35 0.14 -0.92 0.00 0.00 175.35 175.31 3dxj s VAL 972 N -2.15 0.00 -0.25 3.17 -7.23 0.11 -3.26 120.40 110.79 3dxj s VAL 972 Ca 0.31 -1.84 -0.15 0.00 -1.81 0.00 0.00 61.98 58.48 3dxj s VAL 972 Cb -0.07 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3dxj s VAL 972 CO 0.20 0.00 0.38 -0.69 -0.31 0.00 0.00 175.10 174.68 3dxj s VAL 973 N -3.32 5.18 -0.09 1.32 1.01 -1.26 0.44 120.40 123.67 3dxj s VAL 973 Ca 0.37 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.98 3dxj s VAL 973 Cb 0.01 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3dxj s VAL 973 CO 0.24 0.18 -0.18 -0.76 0.00 0.00 0.00 175.10 174.58 3dxj s LEU 974 N 1.91 2.49 -0.15 3.92 1.43 -1.26 -4.39 118.68 122.62 3dxj s LEU 974 Ca 0.16 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 3dxj s LEU 974 Cb -0.15 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3dxj s LEU 974 CO 0.09 0.22 0.12 -0.31 0.23 0.00 0.00 176.35 176.71 3dxj s TYR 975 N -0.01 3.48 -0.23 0.29 1.51 -1.10 -0.85 117.35 120.43 3dxj s TYR 975 Ca -0.05 0.40 -0.26 0.00 -1.01 0.00 0.00 57.07 56.15 3dxj s TYR 975 Cb -0.15 -2.02 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3dxj s TYR 975 CO 0.05 0.52 0.87 0.34 -1.11 0.00 0.00 175.55 176.22 3dxj s ASP 976 N -0.43 6.90 0.00 2.29 2.15 -0.80 -2.74 116.67 124.04 3dxj s ASP 976 Ca 0.11 1.12 0.00 0.00 0.43 0.00 0.00 52.55 54.22 3dxj s ASP 976 Cb -0.12 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 3dxj s ASP 976 CO 0.02 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 3dxj n GLY 977 N 3.63 0.00 0.01 2.66 0.00 -1.07 -0.62 105.19 109.80 3dxj n GLY 977 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3dxj n GLY 977 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxj n ARG 978 N -0.34 0.96 0.00 1.61 1.74 -1.25 -3.30 116.66 116.08 3dxj n ARG 978 Ca 0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3dxj n ARG 978 Cb 0.00 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 3dxj n ARG 978 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dxj n THR 979 N -1.95 0.00 0.00 0.55 -2.24 -0.20 -4.97 114.28 105.47 3dxj n THR 979 Ca -0.05 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3dxj n THR 979 Cb 0.39 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3dxj n THR 979 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dxj n GLY 980 N 1.60 2.19 3.79 3.38 0.00 0.21 -4.92 105.19 111.43 3dxj n GLY 980 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3dxj n GLY 980 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 981 N 0.00 3.00 0.65 1.61 2.02 -1.26 -4.66 118.70 120.05 3dxj s GLU 981 Ca 0.00 1.24 -0.11 0.00 0.02 0.00 0.00 54.97 56.13 3dxj s GLU 981 Cb 0.00 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 3dxj s GLU 981 CO 0.00 -1.07 1.04 -1.25 0.02 0.00 0.00 175.26 174.00 3dxj s PRO 982 N -4.25 3.26 -0.72 0.39 0.04 -1.26 -1.91 135.00 130.55 3dxj s PRO 982 Ca 0.64 0.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 3dxj s PRO 982 Cb -0.18 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.41 3dxj s PRO 982 CO 0.42 -0.75 0.88 0.42 0.04 0.00 0.00 177.00 178.00 3dxj s ILE 983 N -3.23 4.79 -0.28 0.56 1.01 -0.03 -4.83 121.20 119.18 3dxj s ILE 983 Ca 0.56 -1.20 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 3dxj s ILE 983 Cb -0.11 -4.60 -0.11 0.00 0.01 0.00 0.00 42.46 37.65 3dxj s ILE 983 CO 0.52 -1.28 1.13 -1.84 0.00 0.00 0.00 174.94 173.46 3dxj n GLU 984 N 6.39 0.00 0.00 2.79 0.28 -1.26 -4.29 120.64 124.55 3dxj n GLU 984 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 3dxj n GLU 984 Cb 0.45 -0.84 0.00 0.00 1.43 0.00 0.00 31.44 32.48 3dxj n GLU 984 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dxj n GLY 985 N 3.71 0.62 3.39 -1.84 0.00 -1.26 -5.07 105.19 104.73 3dxj n GLY 985 Ca 0.27 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 3dxj n GLY 985 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dxj n PRO 986 N 2.19 -2.22 -3.69 1.61 -0.02 -1.26 -4.83 135.00 126.78 3dxj n PRO 986 Ca 0.00 -0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 60.73 3dxj n PRO 986 Cb 0.00 -1.98 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 3dxj n PRO 986 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dxj s ILE 987 N -2.33 -0.24 0.25 4.25 -1.09 0.17 -4.85 121.20 117.37 3dxj s ILE 987 Ca 0.64 0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 58.96 3dxj s ILE 987 Cb -0.20 -0.45 -0.10 0.00 -1.58 0.00 0.00 42.46 40.13 3dxj s ILE 987 CO 0.66 0.08 1.36 0.54 -1.23 0.00 0.00 174.94 176.35 3dxj s VAL 988 N 1.86 2.88 0.22 2.92 0.11 -1.26 0.10 120.40 127.23 3dxj s VAL 988 Ca -0.04 0.77 -0.14 0.00 -2.93 0.00 0.00 61.98 59.63 3dxj s VAL 988 Cb -0.11 -3.49 0.01 0.00 -1.53 0.00 0.00 36.38 31.26 3dxj s VAL 988 CO -0.09 0.13 0.47 0.68 -3.33 0.00 0.00 175.10 172.97 3dxj s VAL 989 N -0.24 0.02 -5.00 2.04 -7.23 -1.03 -3.24 120.40 105.72 3dxj s VAL 989 Ca 0.56 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 3dxj s VAL 989 Cb -0.39 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.62 3dxj s VAL 989 CO 0.44 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 3dxj n GLY 990 N -0.34 -1.14 3.72 2.32 0.00 0.29 -4.56 105.19 105.48 3dxj n GLY 990 Ca -0.05 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 3dxj n GLY 990 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dxj s GLN 991 N -1.78 4.57 0.02 1.61 -0.21 -1.24 0.36 119.66 122.98 3dxj s GLN 991 Ca 0.00 1.29 0.02 0.00 0.02 0.00 0.00 55.36 56.69 3dxj s GLN 991 Cb 0.00 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.58 3dxj s GLN 991 CO 0.00 0.09 -0.07 1.41 -2.12 0.00 0.00 175.29 174.60 3dxj s MET 992 N 0.54 0.53 -0.24 2.91 1.75 0.82 -4.08 119.30 121.53 3dxj s MET 992 Ca 0.46 -0.49 -0.20 0.00 -1.25 0.00 0.00 55.69 54.21 3dxj s MET 992 Cb -0.21 -0.43 -0.02 0.00 2.84 0.00 0.00 34.83 37.01 3dxj s MET 992 CO 0.26 0.10 0.61 0.12 -0.65 0.00 0.00 175.02 175.47 3dxj s PHE 993 N -0.72 3.30 0.02 4.11 2.19 -1.26 -1.84 117.98 123.79 3dxj s PHE 993 Ca -0.03 0.82 0.03 0.00 0.33 0.00 0.00 56.93 58.08 3dxj s PHE 993 Cb -0.06 -2.81 -0.02 0.00 -1.31 0.00 0.00 43.02 38.82 3dxj s PHE 993 CO 0.00 -0.28 -0.10 0.42 1.83 0.00 0.00 175.22 177.09 3dxj s ILE 994 N 2.32 0.76 0.13 3.12 1.01 -1.19 -3.90 121.20 123.45 3dxj s ILE 994 Ca 0.26 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.23 3dxj s ILE 994 Cb -0.16 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 3dxj s ILE 994 CO 0.09 -0.05 -0.19 -0.04 0.00 0.00 0.00 174.94 174.76 3dxj s MET 995 N -0.92 1.75 0.33 2.79 -1.94 -0.52 -1.62 119.30 119.16 3dxj s MET 995 Ca -0.01 -1.23 -0.11 0.00 -1.71 0.00 0.00 55.69 52.63 3dxj s MET 995 Cb -0.07 -2.08 -0.07 0.00 2.01 0.00 0.00 34.83 34.62 3dxj s MET 995 CO 0.00 0.47 0.69 0.21 -0.01 0.00 0.00 175.02 176.38 3dxj s LYS 996 N -2.23 3.85 -0.02 2.03 2.20 -1.26 -1.94 119.74 122.36 3dxj s LYS 996 Ca 0.18 0.44 0.06 0.00 -0.36 0.00 0.00 55.97 56.30 3dxj s LYS 996 Cb -0.10 -2.49 -0.02 0.00 -1.51 0.00 0.00 37.83 33.71 3dxj s LYS 996 CO 0.10 0.13 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.51 3dxj s LEU 997 N -3.29 2.37 0.22 5.43 1.43 0.20 -3.17 118.68 121.88 3dxj s LEU 997 Ca 0.51 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 3dxj s LEU 997 Cb -0.10 -1.43 -0.15 0.00 0.03 0.00 0.00 46.19 44.53 3dxj s LEU 997 CO 0.24 0.32 1.01 0.00 0.23 0.00 0.00 176.35 178.14 3dxj n TYR 998 N 2.24 1.03 -3.60 0.29 9.36 -1.12 -4.44 117.16 120.92 3dxj n TYR 998 Ca -0.16 0.74 -0.38 0.00 3.32 0.00 0.00 57.90 61.41 3dxj n TYR 998 Cb 0.52 -2.22 -0.11 0.00 -0.63 0.00 0.00 39.34 36.90 3dxj n TYR 998 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3dxj s HIS 999 N -0.68 3.23 0.17 2.98 5.65 -1.26 -4.98 115.29 120.40 3dxj s HIS 999 Ca 0.66 0.14 -0.30 0.00 0.25 0.00 0.00 55.06 55.81 3dxj s HIS 999 Cb -0.80 -2.37 -0.08 0.00 -1.18 0.00 0.00 32.58 28.15 3dxj s HIS 999 CO 0.56 -0.13 1.12 -1.64 -0.65 0.00 0.00 174.74 174.00 3dxj s MET 1000N 1.66 4.57 0.35 2.88 1.00 -1.26 -4.93 119.30 123.57 3dxj s MET 1000Ca 0.07 1.75 0.02 0.00 0.00 0.00 0.00 55.69 57.53 3dxj s MET 1000Cb -0.16 -3.27 0.63 0.00 0.00 0.00 0.00 34.83 32.03 3dxj s MET 1000CO 0.10 0.03 2.00 -0.39 0.00 0.00 0.00 175.02 176.76 3dxj h VAL 1001N 3.76 1.15 0.00 -6.03 -1.51 -1.97 0.85 116.25 112.51 3dxj h VAL 1001Ca -0.44 -0.30 -0.03 0.00 -1.23 0.00 0.00 66.70 64.70 3dxj h VAL 1001Cb 1.21 0.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3dxj h VAL 1001CO 0.73 0.16 -0.16 1.05 -1.23 0.00 0.00 177.57 178.12 3dxj h GLU 1002N 0.87 0.00 -0.00 5.19 -0.00 -2.05 0.76 114.58 119.35 3dxj h GLU 1002Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.61 3dxj h GLU 1002Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.69 3dxj h GLU 1002CO -0.06 0.16 -0.12 -0.25 -0.00 0.00 0.00 179.01 178.74 3dxj n ASP 1003N -3.52 0.34 -4.32 3.06 9.92 0.28 -4.89 116.55 117.42 3dxj n ASP 1003Ca -0.01 -0.34 -0.34 0.00 -0.53 0.00 0.00 54.79 53.56 3dxj n ASP 1003Cb 0.31 -0.13 0.09 0.00 -0.64 0.00 0.00 41.12 40.75 3dxj n ASP 1003CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3dxj n LYS 1004N -1.13 -0.10 -2.54 -1.24 4.81 0.26 -4.76 118.16 113.47 3dxj n LYS 1004Ca 0.13 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.16 3dxj n LYS 1004Cb 0.29 -1.62 -0.02 0.00 0.02 0.00 0.00 35.03 33.70 3dxj n LYS 1004CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3dxj s MET 1005N -2.99 3.71 0.52 1.64 -2.45 -1.26 -4.97 119.30 113.51 3dxj s MET 1005Ca 0.55 -1.48 -0.19 0.00 -1.25 0.00 0.00 55.69 53.32 3dxj s MET 1005Cb -0.24 -5.43 -0.07 0.00 1.25 0.00 0.00 34.83 30.34 3dxj s MET 1005CO 0.69 -2.30 1.05 -1.01 1.05 0.00 0.00 175.02 174.50 3dxj s HIS 1006N 4.93 2.99 -0.30 4.11 0.09 -1.26 -4.99 115.29 120.86 3dxj s HIS 1006Ca 0.51 1.55 -0.11 0.00 -0.00 0.00 0.00 55.06 57.01 3dxj s HIS 1006Cb 0.02 -3.05 0.18 0.00 -0.00 0.00 0.00 32.58 29.72 3dxj s HIS 1006CO -0.02 -0.94 0.96 0.00 -0.00 0.00 0.00 174.74 174.74 3dxj s ALA 1007N -2.13 -3.14 0.51 -1.40 0.00 -1.26 -5.15 121.76 109.18 3dxj s ALA 1007Ca 0.66 1.57 0.08 0.00 0.00 0.00 0.00 51.96 54.27 3dxj s ALA 1007Cb -0.16 -2.40 0.04 0.00 0.00 0.00 0.00 23.12 20.60 3dxj s ALA 1007CO 0.26 -1.39 0.57 0.50 0.00 0.00 0.00 175.76 175.70 3dxj s ARG 1008N 2.89 2.43 0.00 0.00 3.52 -1.26 -4.86 118.95 121.67 3dxj s ARG 1008Ca 0.03 -1.64 0.00 0.00 -0.13 0.00 0.00 55.73 53.99 3dxj s ARG 1008Cb -0.11 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 3dxj s ARG 1008CO -0.14 -0.56 0.00 0.45 -0.81 0.00 0.00 175.30 174.25 3dxj n SER 1009N -1.91 0.00 -3.65 -2.12 2.88 -1.26 -5.11 113.62 102.45 3dxj n SER 1009Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 3dxj n SER 1009Cb 0.62 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 3dxj n SER 1009CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3dxj s THR 1010N -1.00 0.00 0.00 2.46 -1.32 -1.26 -5.16 115.64 109.35 3dxj s THR 1010Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3dxj s THR 1010Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3dxj s THR 1010CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3dxj n GLY 1011N 2.55 2.29 3.81 6.08 0.00 -1.26 -4.96 105.19 113.70 3dxj n GLY 1011Ca -0.15 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3dxj n GLY 1011CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dxj s PRO 1012N 4.59 0.77 0.02 1.61 0.02 -1.22 -4.91 135.00 135.89 3dxj s PRO 1012Ca 0.00 0.04 -0.09 0.00 0.02 0.00 0.00 61.00 60.97 3dxj s PRO 1012Cb 0.00 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.71 3dxj s PRO 1012CO 0.00 -2.40 0.19 0.71 -0.33 0.00 0.00 177.00 175.17 3dxj s TYR 1013N -3.43 0.03 -0.04 6.54 2.02 -1.26 -1.11 117.35 120.10 3dxj s TYR 1013Ca 0.67 -0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.88 3dxj s TYR 1013Cb -0.11 -0.03 -0.08 0.00 -0.40 0.00 0.00 41.96 41.34 3dxj s TYR 1013CO 0.53 -0.39 2.03 0.45 -1.57 0.00 0.00 175.55 176.60 3dxj n SER 1014N 0.93 3.86 -0.51 2.29 2.88 0.25 -4.71 113.62 118.62 3dxj n SER 1014Ca -0.20 0.74 0.42 0.00 -1.33 0.00 0.00 58.87 58.50 3dxj n SER 1014Cb 0.58 -1.51 0.69 0.00 -0.75 0.00 0.00 64.21 63.22 3dxj n SER 1014CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3dxj n LEU 1015N 8.45 0.17 0.00 2.46 7.94 -1.26 0.23 117.00 134.99 3dxj n LEU 1015Ca 0.23 1.30 0.00 0.00 -1.11 0.00 0.00 56.01 56.43 3dxj n LEU 1015Cb 0.40 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 43.71 3dxj n LEU 1015CO 0.68 -1.40 0.00 -0.38 -1.11 0.00 0.00 177.39 175.19 3dxj n ILE 1016N -4.54 0.00 0.02 1.96 5.41 -1.26 -4.49 119.36 116.45 3dxj n ILE 1016Ca 0.41 0.40 0.22 0.00 1.00 0.00 0.00 62.75 64.78 3dxj n ILE 1016Cb 1.63 -1.40 0.68 0.00 -0.71 0.00 0.00 39.64 39.84 3dxj n ILE 1016CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3dxj h THR 1017N 0.00 0.28 -3.97 1.39 1.35 -1.95 -3.44 112.91 106.57 3dxj h THR 1017Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.51 3dxj h THR 1017Cb 0.00 0.50 0.06 0.00 -1.73 0.00 0.00 68.15 66.98 3dxj h THR 1017CO 0.00 0.00 -0.53 0.00 -0.25 0.00 0.00 175.52 174.74 3dxj n GLN 1018N -3.60 -4.38 -4.30 4.72 1.13 0.61 -4.74 117.38 106.81 3dxj n GLN 1018Ca 0.11 0.78 -0.30 0.00 -1.94 0.00 0.00 57.00 55.65 3dxj n GLN 1018Cb 0.83 -5.39 -0.10 0.00 0.11 0.00 0.00 30.24 25.69 3dxj n GLN 1018CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3dxj s GLN 1019N -5.57 2.28 0.09 -1.09 -0.21 -1.24 -4.56 119.66 109.36 3dxj s GLN 1019Ca 0.27 -0.92 -0.24 0.00 0.02 0.00 0.00 55.36 54.49 3dxj s GLN 1019Cb -0.12 -2.37 -0.13 0.00 1.00 0.00 0.00 33.01 31.38 3dxj s GLN 1019CO 0.34 0.54 0.53 -2.30 -2.12 0.00 0.00 175.29 172.28 3dxj n PRO 1020N 0.96 0.00 -3.81 2.91 -0.02 -1.26 0.84 135.00 134.62 3dxj n PRO 1020Ca -0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.22 3dxj n PRO 1020Cb 0.52 -0.87 -0.10 0.00 -0.02 0.00 0.00 33.50 33.03 3dxj n PRO 1020CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dxj s LEU 1021N 1.32 1.21 0.03 2.45 2.96 -0.27 -4.45 118.68 121.93 3dxj s LEU 1021Ca 0.54 0.14 -0.11 0.00 -0.22 0.00 0.00 54.13 54.48 3dxj s LEU 1021Cb -0.77 0.87 -0.06 0.00 0.50 0.00 0.00 46.19 46.73 3dxj s LEU 1021CO 0.41 -0.27 0.37 -0.83 -1.32 0.00 0.00 176.35 174.71 3dxj s GLY 1022N -0.75 2.36 0.00 7.98 0.00 -1.21 -3.39 107.32 112.32 3dxj s GLY 1022Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.27 3dxj s GLY 1022CO 0.02 -0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.63 3dxj n GLY 1023N 1.29 2.09 0.13 0.20 0.00 0.60 -4.75 105.19 104.75 3dxj n GLY 1023Ca -0.11 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 3dxj n GLY 1023CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxj n LYS 1024N 0.00 0.62 -0.46 1.61 5.02 -1.26 -4.25 118.16 119.44 3dxj n LYS 1024Ca 0.00 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 56.71 3dxj n LYS 1024Cb 0.00 -1.61 0.28 0.00 -0.02 0.00 0.00 35.03 33.67 3dxj n LYS 1024CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxj n ALA 1025N -3.62 2.86 -2.79 7.82 0.00 -1.26 -4.82 120.51 118.70 3dxj n ALA 1025Ca -0.43 -1.72 -0.18 0.00 0.00 0.00 0.00 53.44 51.12 3dxj n ALA 1025Cb 0.87 -0.77 -0.15 0.00 0.00 0.00 0.00 19.45 19.40 3dxj n ALA 1025CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3dxj s GLN 1026N -1.97 0.67 0.46 0.00 2.00 -1.26 -4.74 119.66 114.81 3dxj s GLN 1026Ca 0.41 -0.27 -0.22 0.00 -2.00 0.00 0.00 55.36 53.28 3dxj s GLN 1026Cb 0.28 -0.64 -0.08 0.00 0.80 0.00 0.00 33.01 33.37 3dxj s GLN 1026CO 0.17 0.15 1.08 -0.06 -0.50 0.00 0.00 175.29 176.13 3dxj s PHE 1027N -0.09 3.03 0.41 1.67 0.08 -1.26 0.22 117.98 122.05 3dxj s PHE 1027Ca 0.02 1.59 -0.05 0.00 0.12 0.00 0.00 56.93 58.61 3dxj s PHE 1027Cb -0.04 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 3dxj s PHE 1027CO -0.00 -0.98 0.70 0.20 -0.10 0.00 0.00 175.22 175.03 3dxj s GLY 1028N -1.69 1.58 0.31 4.36 0.00 -1.26 -3.32 107.32 107.30 3dxj s GLY 1028Ca 0.64 -0.56 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 3dxj s GLY 1028CO 0.26 -0.42 0.68 -0.32 0.00 0.00 0.00 173.10 173.30 3dxj s GLY 1029N -3.82 2.22 0.72 0.20 0.00 -1.26 -4.59 107.32 100.78 3dxj s GLY 1029Ca 0.46 -0.13 -0.16 0.00 0.00 0.00 0.00 44.72 44.89 3dxj s GLY 1029CO 0.39 0.05 1.24 1.20 0.00 0.00 0.00 173.10 175.98 3dxj s GLN 1030N -3.12 2.17 -0.07 2.90 -1.52 -1.26 -4.97 119.66 113.80 3dxj s GLN 1030Ca 0.51 1.88 -0.18 0.00 -1.95 0.00 0.00 55.36 55.62 3dxj s GLN 1030Cb -0.11 -1.82 -0.05 0.00 -0.22 0.00 0.00 33.01 30.81 3dxj s GLN 1030CO 0.22 -1.84 0.48 0.50 -0.25 0.00 0.00 175.29 174.40 3dxj s ARG 1031N -3.75 4.24 0.00 2.91 3.52 -1.26 -5.06 118.95 119.55 3dxj s ARG 1031Ca 0.77 0.50 0.02 0.00 -0.13 0.00 0.00 55.73 56.89 3dxj s ARG 1031Cb -0.32 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 3dxj s ARG 1031CO 0.44 0.33 0.00 0.12 -0.81 0.00 0.00 175.30 175.39 3dxj s PHE 1032N 0.04 3.08 0.32 5.12 5.36 -1.26 -5.11 117.98 125.54 3dxj s PHE 1032Ca 0.26 0.08 0.05 0.00 -0.96 0.00 0.00 56.93 56.36 3dxj s PHE 1032Cb -0.16 -1.67 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 3dxj s PHE 1032CO 0.12 0.47 0.21 0.20 -1.46 0.00 0.00 175.22 174.76 3dxj s GLY 1033N -1.60 2.20 0.13 13.12 0.00 -1.26 -5.04 107.32 114.88 3dxj s GLY 1033Ca 0.20 -1.82 -0.22 0.00 0.00 0.00 0.00 44.72 42.88 3dxj s GLY 1033CO 0.11 -1.55 1.67 1.05 0.00 0.00 0.00 173.10 174.38 3dxj h GLU 1034N 2.16 -0.18 -0.83 2.90 4.11 -1.99 0.34 114.58 121.08 3dxj h GLU 1034Ca -0.30 0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.22 3dxj h GLU 1034Cb 1.24 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.44 3dxj h GLU 1034CO 0.45 -0.12 -0.49 -1.33 0.07 0.00 0.00 179.01 177.60 3dxj n MET 1035N -5.29 -0.36 0.13 1.06 2.81 -1.26 0.31 117.12 114.51 3dxj n MET 1035Ca -0.03 1.27 -0.13 0.00 -1.81 0.00 0.00 57.70 57.01 3dxj n MET 1035Cb 0.21 -1.88 -0.07 0.00 -0.71 0.00 0.00 33.22 30.77 3dxj n MET 1035CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3dxj h GLU 1036N 0.00 -0.60 -0.94 0.03 3.07 -1.65 0.12 114.58 114.61 3dxj h GLU 1036Ca 0.13 0.04 0.13 0.00 -0.50 0.00 0.00 59.36 59.16 3dxj h GLU 1036Cb 0.34 0.14 -0.14 0.00 -0.84 0.00 0.00 28.75 28.25 3dxj h GLU 1036CO -0.78 -0.40 -0.41 0.28 -1.40 0.00 0.00 179.01 176.30 3dxj n VAL 1037N -4.70 -0.53 -0.11 3.13 0.31 0.21 -0.21 118.33 116.43 3dxj n VAL 1037Ca -0.07 2.21 -0.11 0.00 -0.01 0.00 0.00 64.34 66.36 3dxj n VAL 1037Cb 0.32 -2.87 -0.08 0.00 -0.91 0.00 0.00 33.84 30.30 3dxj n VAL 1037CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3dxj h TRP 1038N 0.00 -1.31 -0.61 3.52 6.55 0.63 0.70 115.95 125.43 3dxj h TRP 1038Ca 0.28 0.06 0.10 0.00 0.95 0.00 0.00 58.89 60.29 3dxj h TRP 1038Cb 0.52 0.61 -0.11 0.00 -0.86 0.00 0.00 29.16 29.32 3dxj h TRP 1038CO -0.86 -0.37 -0.39 0.00 -1.05 0.00 0.00 178.44 175.77 3dxj h ALA 1039N -0.33 -0.19 -0.61 1.49 0.00 0.19 0.67 119.26 120.48 3dxj h ALA 1039Ca 0.06 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.22 3dxj h ALA 1039Cb 0.45 0.90 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 3dxj h ALA 1039CO -0.46 -0.76 0.16 -0.07 0.00 0.00 0.00 179.25 178.12 3dxj h LEU 1040N -0.19 0.06 0.28 0.00 3.38 0.47 -2.23 115.31 117.09 3dxj h LEU 1040Ca 0.21 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3dxj h LEU 1040Cb 0.56 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3dxj h LEU 1040CO -0.71 0.04 -0.19 -0.33 0.09 0.00 0.00 178.44 177.34 3dxj h GLU 1041N 0.30 -0.44 -1.01 1.13 5.08 0.55 0.80 114.58 120.98 3dxj h GLU 1041Ca 0.32 0.03 0.24 0.00 -1.00 0.00 0.00 59.36 58.95 3dxj h GLU 1041Cb 0.46 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.72 3dxj h GLU 1041CO -0.38 -0.29 0.64 0.00 -1.00 0.00 0.00 179.01 177.97 3dxj h ALA 1042N 0.24 2.09 -0.02 3.43 0.00 0.61 0.20 119.26 125.80 3dxj h ALA 1042Ca -0.03 0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 3dxj h ALA 1042Cb 0.39 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.19 3dxj h ALA 1042CO 0.02 -0.48 -0.98 1.88 0.00 0.00 0.00 179.25 179.69 3dxj h TYR 1043N 0.48 0.95 -0.08 0.00 -1.99 -0.95 -3.48 116.97 111.90 3dxj h TYR 1043Ca 0.58 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3dxj h TYR 1043Cb 1.33 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.94 3dxj h TYR 1043CO -0.00 1.33 0.00 0.41 -0.00 0.00 0.00 178.16 179.90 3dxj n GLY 1044N 0.99 1.33 2.51 3.88 0.00 0.71 -5.00 105.19 109.61 3dxj n GLY 1044Ca -0.09 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 3dxj n GLY 1044CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxj n ALA 1045N -0.97 6.64 -0.59 4.61 0.00 -1.08 -4.88 120.51 124.23 3dxj n ALA 1045Ca 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.64 3dxj n ALA 1045Cb 0.18 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.12 3dxj n ALA 1045CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxj n ALA 1046N 1.25 0.00 -0.25 0.00 0.00 -1.26 -0.58 120.51 119.66 3dxj n ALA 1046Ca 0.57 0.00 0.25 0.00 0.00 0.00 0.00 53.44 54.26 3dxj n ALA 1046Cb 0.34 0.08 0.46 0.00 0.00 0.00 0.00 19.45 20.33 3dxj n ALA 1046CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dxj n HIS 1047N -0.42 0.90 0.05 0.00 8.25 -1.26 0.12 115.22 122.87 3dxj n HIS 1047Ca 0.00 0.91 -0.02 0.00 -0.26 0.00 0.00 57.72 58.35 3dxj n HIS 1047Cb 0.00 -1.33 -0.01 0.00 1.12 0.00 0.00 29.99 29.77 3dxj n HIS 1047CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3dxj h THR 1048N 0.00 0.00 -0.71 1.59 2.02 -1.25 0.17 112.91 114.74 3dxj h THR 1048Ca 0.66 -0.00 0.15 0.00 0.77 0.00 0.00 66.41 68.00 3dxj h THR 1048Cb 1.77 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.05 3dxj h THR 1048CO -0.60 0.00 -0.06 0.25 0.37 0.00 0.00 175.52 175.48 3dxj h LEU 1049N -0.13 -0.45 0.00 2.58 5.85 0.16 0.42 115.31 123.74 3dxj h LEU 1049Ca -0.01 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3dxj h LEU 1049Cb 0.10 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3dxj h LEU 1049CO 0.02 -0.19 0.00 1.67 -0.34 0.00 0.00 178.44 179.60 3dxj n GLN 1050N -5.38 0.00 -0.37 1.25 7.27 0.32 -0.78 117.38 119.70 3dxj n GLN 1050Ca 0.11 0.16 -0.00 0.00 0.07 0.00 0.00 57.00 57.34 3dxj n GLN 1050Cb 0.41 -0.85 0.05 0.00 2.41 0.00 0.00 30.24 32.26 3dxj n GLN 1050CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 3dxj n GLU 1051N -0.51 -0.21 -0.31 3.69 0.28 0.59 0.29 120.64 124.46 3dxj n GLU 1051Ca 0.00 1.49 0.31 0.00 -0.16 0.00 0.00 57.16 58.80 3dxj n GLU 1051Cb 0.00 -2.22 0.57 0.00 1.43 0.00 0.00 31.44 31.22 3dxj n GLU 1051CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 3dxj n MET 1052N -5.44 -0.06 0.00 3.44 1.56 0.15 0.17 117.12 116.93 3dxj n MET 1052Ca 0.10 1.35 0.12 0.00 -0.27 0.00 0.00 57.70 59.00 3dxj n MET 1052Cb 0.40 -2.42 0.20 0.00 2.15 0.00 0.00 33.22 33.55 3dxj n MET 1052CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3dxj n LEU 1053N -5.22 0.82 0.00 -0.89 4.77 0.83 -4.01 117.00 113.31 3dxj n LEU 1053Ca 0.37 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3dxj n LEU 1053Cb 1.24 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 3dxj n LEU 1053CO 0.01 0.18 0.00 0.35 -1.33 0.00 0.00 177.39 176.60 3dxj n THR 1054N -1.19 0.00 -0.04 -5.08 -2.24 0.45 -3.44 114.28 102.74 3dxj n THR 1054Ca 0.07 0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.80 3dxj n THR 1054Cb 0.35 -0.84 -0.03 0.00 -2.10 0.00 0.00 70.33 67.71 3dxj n THR 1054CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dxj h LEU 1055N 0.00 -0.17 0.00 3.22 3.38 -1.26 0.18 115.31 120.65 3dxj h LEU 1055Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dxj h LEU 1055Cb 0.00 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3dxj h LEU 1055CO 0.00 -0.06 0.00 0.29 0.09 0.00 0.00 178.44 178.76 3dxj n LYS 1056N -5.19 0.08 0.00 1.13 5.02 -0.62 -4.34 118.16 114.25 3dxj n LYS 1056Ca -0.02 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 3dxj n LYS 1056Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3dxj n LYS 1056CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3dxj n SER 1057N -1.39 0.00 0.04 4.39 2.88 0.56 -4.84 113.62 115.26 3dxj n SER 1057Ca 0.04 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.71 3dxj n SER 1057Cb 0.11 0.06 0.46 0.00 -0.75 0.00 0.00 64.21 64.09 3dxj n SER 1057CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3dxj n ASP 1058N -1.26 0.41 -4.41 -3.46 2.03 -0.97 -4.66 116.55 104.24 3dxj n ASP 1058Ca 0.00 0.41 -0.44 0.00 0.52 0.00 0.00 54.79 55.28 3dxj n ASP 1058Cb 0.00 -0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 39.88 3dxj n ASP 1058CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3dxj s ASP 1059N -3.67 6.20 0.00 1.67 2.15 -0.76 0.98 116.67 123.25 3dxj s ASP 1059Ca 0.12 -1.14 0.00 0.00 0.43 0.00 0.00 52.55 51.96 3dxj s ASP 1059Cb 0.16 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 3dxj s ASP 1059CO 0.59 -0.94 0.00 -0.38 -0.17 0.00 0.00 175.17 174.27 3dxj n ILE 1060N 5.55 0.00 -0.54 4.11 5.41 -1.26 -2.67 119.36 129.95 3dxj n ILE 1060Ca -0.08 0.29 0.41 0.00 1.00 0.00 0.00 62.75 64.37 3dxj n ILE 1060Cb 0.44 -0.99 0.64 0.00 -0.71 0.00 0.00 39.64 39.02 3dxj n ILE 1060CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3dxj n GLU 1061N 0.00 -0.01 0.00 0.38 2.13 -1.26 -2.24 120.64 119.65 3dxj n GLU 1061Ca 0.00 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.73 3dxj n GLU 1061Cb 0.00 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 29.69 3dxj n GLU 1061CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dxj n GLY 1062N -1.68 -2.95 0.13 8.31 0.00 -1.09 -2.47 105.19 105.44 3dxj n GLY 1062Ca 0.36 0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.72 3dxj n GLY 1062CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dxj n ARG 1063N -0.60 -0.03 0.44 1.61 1.85 -0.95 0.65 116.66 119.62 3dxj n ARG 1063Ca 0.00 0.58 -0.19 0.00 -1.00 0.00 0.00 57.85 57.23 3dxj n ARG 1063Cb 0.00 -0.88 -0.09 0.00 -1.05 0.00 0.00 32.46 30.43 3dxj n ARG 1063CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3dxj h ASN 1064N 0.00 -0.99 -0.72 2.89 2.35 -1.68 0.42 115.58 117.85 3dxj h ASN 1064Ca 0.20 0.04 0.14 0.00 -0.55 0.00 0.00 56.30 56.13 3dxj h ASN 1064Cb 0.36 0.27 -0.14 0.00 0.05 0.00 0.00 38.32 38.86 3dxj h ASN 1064CO -0.37 -0.68 -0.25 0.00 -1.65 0.00 0.00 177.43 174.48 3dxj h ALA 1065N -0.93 0.31 0.07 -0.83 0.00 0.54 -0.99 119.26 117.42 3dxj h ALA 1065Ca -0.11 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dxj h ALA 1065Cb 0.86 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 3dxj h ALA 1065CO 0.16 -0.51 -0.21 0.00 0.00 0.00 0.00 179.25 178.70 3dxj h ALA 1066N 1.50 -0.76 -0.91 0.00 0.00 -0.75 -0.62 119.26 117.72 3dxj h ALA 1066Ca 0.32 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3dxj h ALA 1066Cb 0.56 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3dxj h ALA 1066CO -0.76 -0.80 -0.54 0.98 0.00 0.00 0.00 179.25 178.13 3dxj n TYR 1067N -3.61 -0.40 -0.22 0.00 9.36 0.14 -0.10 117.16 122.33 3dxj n TYR 1067Ca -0.04 1.13 -0.06 0.00 3.32 0.00 0.00 57.90 62.26 3dxj n TYR 1067Cb 0.16 -0.57 -0.00 0.00 -0.63 0.00 0.00 39.34 38.30 3dxj n TYR 1067CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 3dxj h GLU 1068N 0.00 -0.16 -0.47 2.98 4.81 -0.95 -1.31 114.58 119.48 3dxj h GLU 1068Ca 0.15 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3dxj h GLU 1068Cb 0.37 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 3dxj h GLU 1068CO -0.85 -0.11 -0.49 0.00 -0.73 0.00 0.00 179.01 176.83 3dxj h ALA 1069N 0.91 -0.67 -0.92 2.92 0.00 0.11 0.17 119.26 121.79 3dxj h ALA 1069Ca 0.23 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.36 3dxj h ALA 1069Cb 0.56 1.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.37 3dxj h ALA 1069CO -0.72 -0.93 0.48 0.82 0.00 0.00 0.00 179.25 178.91 3dxj h ILE 1070N -0.27 0.60 -0.73 0.00 2.04 -0.65 0.58 117.51 119.07 3dxj h ILE 1070Ca 0.08 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.77 3dxj h ILE 1070Cb 0.48 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3dxj h ILE 1070CO -0.58 0.10 0.48 0.40 0.00 0.00 0.00 178.15 178.55 3dxj h ILE 1071N 0.56 1.14 -0.22 -0.67 1.08 0.33 0.22 117.51 119.94 3dxj h ILE 1071Ca 0.55 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.71 3dxj h ILE 1071Cb 0.95 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 3dxj h ILE 1071CO -0.45 0.17 0.00 0.29 -0.69 0.00 0.00 178.15 177.47 3dxj n LYS 1072N -4.44 1.69 -0.83 2.37 4.76 0.12 -4.84 118.16 116.99 3dxj n LYS 1072Ca 0.09 -1.05 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 3dxj n LYS 1072Cb 0.09 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 3dxj n LYS 1072CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dxj n GLY 1073N 1.06 0.65 3.83 0.72 0.00 0.77 -4.97 105.19 107.24 3dxj n GLY 1073Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3dxj n GLY 1073CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxj s GLU 1074N -0.35 3.57 0.24 1.61 2.02 0.16 -4.87 118.70 121.07 3dxj s GLU 1074Ca 0.00 1.04 -0.04 0.00 0.02 0.00 0.00 54.97 55.99 3dxj s GLU 1074Cb 0.00 -2.07 0.06 0.00 0.10 0.00 0.00 34.13 32.21 3dxj s GLU 1074CO 0.00 -0.60 0.31 -3.47 0.02 0.00 0.00 175.26 171.52 3dxj n ASP 1075N -2.01 -0.13 -4.90 -0.19 -0.08 -1.26 -2.46 116.55 105.52 3dxj n ASP 1075Ca 0.07 -1.06 -0.28 0.00 -1.51 0.00 0.00 54.79 52.02 3dxj n ASP 1075Cb 0.53 -0.24 -0.02 0.00 2.34 0.00 0.00 41.12 43.73 3dxj n ASP 1075CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3dxj s VAL 1076N -1.65 4.94 0.34 5.18 1.01 -1.26 -4.57 120.40 124.39 3dxj s VAL 1076Ca 0.18 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 3dxj s VAL 1076Cb -0.01 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3dxj s VAL 1076CO 0.12 -0.51 0.58 -2.84 0.00 0.00 0.00 175.10 172.45 3dxj s PRO 1077N -3.96 3.55 -0.03 2.72 0.02 -1.26 -5.03 135.00 131.01 3dxj s PRO 1077Ca 0.46 -0.13 -0.30 0.00 0.02 0.00 0.00 61.00 61.05 3dxj s PRO 1077Cb -0.10 -2.62 -0.06 0.00 0.02 0.00 0.00 34.50 31.73 3dxj s PRO 1077CO 0.34 0.14 1.66 -1.21 -0.33 0.00 0.00 177.00 177.59 3dxj s GLU 1078N -4.03 4.19 0.64 5.54 0.41 -1.26 -4.94 118.70 119.24 3dxj s GLU 1078Ca 0.42 2.22 -0.17 0.00 -0.41 0.00 0.00 54.97 57.03 3dxj s GLU 1078Cb -0.10 -3.93 -0.05 0.00 -1.78 0.00 0.00 34.13 28.27 3dxj s GLU 1078CO 0.35 -0.82 0.77 -2.30 -0.49 0.00 0.00 175.26 172.76 3dxj n PRO 1079N 6.88 0.61 0.00 0.39 -0.02 -1.26 -5.04 135.00 136.56 3dxj n PRO 1079Ca 0.17 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3dxj n PRO 1079Cb 0.42 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3dxj n PRO 1079CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dxj n SER 1080N -0.53 0.00 -4.76 2.55 3.41 -1.26 -5.08 113.62 107.95 3dxj n SER 1080Ca 0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.38 3dxj n SER 1080Cb 0.48 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 3dxj n SER 1080CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dxj s VAL 1081N 4.37 5.24 0.02 -3.33 1.01 -1.26 -4.97 120.40 121.48 3dxj s VAL 1081Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 3dxj s VAL 1081Cb 0.00 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 3dxj s VAL 1081CO 0.00 0.52 1.69 -2.84 0.00 0.00 0.00 175.10 174.47 3dxj s PRO 1082N -0.20 4.19 0.33 2.72 0.02 -1.26 -4.28 135.00 136.52 3dxj s PRO 1082Ca 0.10 2.32 0.13 0.00 0.02 0.00 0.00 61.00 63.56 3dxj s PRO 1082Cb -0.12 -3.81 1.00 0.00 0.02 0.00 0.00 34.50 31.59 3dxj s PRO 1082CO 0.01 -0.80 1.70 0.93 -0.33 0.00 0.00 177.00 178.51 3dxj h GLU 1083N 9.06 0.44 -0.77 5.54 4.39 0.26 0.73 114.58 134.24 3dxj h GLU 1083Ca -0.42 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.38 3dxj h GLU 1083Cb 1.20 -0.10 -0.13 0.00 -0.10 0.00 0.00 28.75 29.62 3dxj h GLU 1083CO 0.94 0.29 -0.26 -1.13 -1.16 0.00 0.00 179.01 177.69 3dxj n SER 1084N -4.94 -0.42 0.18 1.42 3.41 -1.26 0.42 113.62 112.43 3dxj n SER 1084Ca 0.29 1.34 -0.07 0.00 -0.26 0.00 0.00 58.87 60.17 3dxj n SER 1084Cb 0.87 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3dxj n SER 1084CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3dxj h PHE 1085N 0.00 -0.42 -0.27 7.33 3.04 0.13 0.03 116.94 126.78 3dxj h PHE 1085Ca 0.30 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.27 3dxj h PHE 1085Cb 0.50 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 3dxj h PHE 1085CO -0.65 -0.26 -0.16 0.54 -2.02 0.00 0.00 178.31 175.77 3dxj n ARG 1086N -3.26 -0.12 -0.22 1.11 1.74 0.64 0.12 116.66 116.67 3dxj n ARG 1086Ca -0.06 1.02 -0.06 0.00 -0.77 0.00 0.00 57.85 57.98 3dxj n ARG 1086Cb 0.18 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 3dxj n ARG 1086CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dxj n VAL 1087N -3.55 -0.35 -0.11 1.55 0.31 0.17 0.15 118.33 116.49 3dxj n VAL 1087Ca 0.01 1.48 -0.03 0.00 -0.01 0.00 0.00 64.34 65.79 3dxj n VAL 1087Cb 0.07 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.11 3dxj n VAL 1087CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3dxj n LEU 1088N -4.33 -0.29 -0.39 7.52 7.94 0.31 -0.52 117.00 127.24 3dxj n LEU 1088Ca 0.01 1.09 -0.09 0.00 -1.11 0.00 0.00 56.01 55.91 3dxj n LEU 1088Cb 0.13 -0.37 -0.07 0.00 0.53 0.00 0.00 43.42 43.64 3dxj n LEU 1088CO -0.08 -0.70 0.47 0.52 -1.11 0.00 0.00 177.39 176.49 3dxj n VAL 1089N -3.57 -0.62 -0.16 1.96 0.31 0.12 -0.24 118.33 116.13 3dxj n VAL 1089Ca 0.01 2.28 -0.05 0.00 -0.01 0.00 0.00 64.34 66.57 3dxj n VAL 1089Cb 0.07 -2.85 0.01 0.00 -0.91 0.00 0.00 33.84 30.16 3dxj n VAL 1089CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3dxj h LYS 1090N 0.00 -0.16 -0.68 5.55 1.79 0.57 0.44 116.57 124.08 3dxj h LYS 1090Ca 0.18 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.80 3dxj h LYS 1090Cb 0.42 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 31.00 3dxj h LYS 1090CO -0.90 -0.11 0.16 0.93 -1.08 0.00 0.00 179.45 178.46 3dxj h GLU 1091N -0.16 0.27 -0.57 3.15 5.08 0.13 3.25 114.58 125.73 3dxj h GLU 1091Ca 0.22 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3dxj h GLU 1091Cb 0.52 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3dxj h GLU 1091CO -0.60 0.18 0.15 -0.07 -1.00 0.00 0.00 179.01 177.67 3dxj h LEU 1092N 0.28 0.86 -0.65 1.33 3.38 0.09 0.21 115.31 120.81 3dxj h LEU 1092Ca 0.37 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3dxj h LEU 1092Cb 0.59 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3dxj h LEU 1092CO -0.45 0.86 0.42 1.56 0.09 0.00 0.00 178.44 180.92 3dxj h GLN 1093N 0.82 0.82 -0.29 1.13 4.20 0.33 0.89 115.11 123.00 3dxj h GLN 1093Ca 0.18 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.93 3dxj h GLN 1093Cb 0.33 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3dxj h GLN 1093CO -0.00 0.54 0.34 0.00 -0.67 0.00 0.00 178.83 179.04 3dxj h ALA 1094N 1.26 1.93 -0.11 3.87 0.00 0.81 1.25 119.26 128.27 3dxj h ALA 1094Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3dxj h ALA 1094Cb -0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dxj h ALA 1094CO -0.08 -0.49 0.00 1.28 0.00 0.00 0.00 179.25 179.97 3dxj n LEU 1095N -3.69 1.44 -1.29 0.00 4.77 0.29 -4.89 117.00 113.64 3dxj n LEU 1095Ca 0.04 -0.57 -0.07 0.00 -0.03 0.00 0.00 56.01 55.39 3dxj n LEU 1095Cb 0.48 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3dxj n LEU 1095CO 0.26 0.28 0.05 0.00 -1.33 0.00 0.00 177.39 176.66 3dxj n ALA 1096N 0.15 -0.35 -3.85 -1.18 0.00 0.43 -5.03 120.51 110.68 3dxj n ALA 1096Ca 0.17 0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.43 3dxj n ALA 1096Cb 0.31 -1.81 -0.16 0.00 0.00 0.00 0.00 19.45 17.79 3dxj n ALA 1096CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dxj s LEU 1097N -2.65 1.70 -0.12 0.00 1.43 -0.38 -4.98 118.68 113.68 3dxj s LEU 1097Ca 0.15 -0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 3dxj s LEU 1097Cb -0.06 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 3dxj s LEU 1097CO 0.18 -0.23 1.67 -0.62 0.23 0.00 0.00 176.35 177.58 3dxj s ASP 1098N 1.65 6.50 -0.19 2.29 2.15 -1.26 -3.31 116.67 124.50 3dxj s ASP 1098Ca -0.01 2.00 -0.06 0.00 0.43 0.00 0.00 52.55 54.91 3dxj s ASP 1098Cb -0.17 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 3dxj s ASP 1098CO -0.07 -1.10 0.03 -0.69 -0.17 0.00 0.00 175.17 173.17 3dxj s VAL 1099N 4.67 4.34 -0.06 1.11 1.01 -1.26 -5.06 120.40 125.15 3dxj s VAL 1099Ca 0.74 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 3dxj s VAL 1099Cb -0.30 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.15 3dxj s VAL 1099CO 0.30 0.44 0.01 -1.58 0.00 0.00 0.00 175.10 174.27 3dxj s GLN 1100N 0.69 0.48 -0.19 2.72 2.00 -1.26 -5.09 119.66 119.01 3dxj s GLN 1100Ca 0.01 0.14 -0.28 0.00 -2.00 0.00 0.00 55.36 53.23 3dxj s GLN 1100Cb -0.14 -0.84 0.00 0.00 0.80 0.00 0.00 33.01 32.83 3dxj s GLN 1100CO 0.02 -0.28 0.99 0.95 -0.50 0.00 0.00 175.29 176.48 3dxj s THR 1101N 1.85 4.74 0.21 -0.34 -4.23 -1.26 -5.01 115.64 111.60 3dxj s THR 1101Ca 0.03 1.96 0.08 0.00 -1.18 0.00 0.00 61.69 62.57 3dxj s THR 1101Cb -0.12 -4.28 -0.05 0.00 1.34 0.00 0.00 72.50 69.39 3dxj s THR 1101CO -0.04 -0.10 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.04 3dxj s LEU 1102N 2.72 2.55 0.00 4.79 1.43 -1.26 -0.30 118.68 128.61 3dxj s LEU 1102Ca 0.44 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3dxj s LEU 1102Cb -0.16 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.39 3dxj s LEU 1102CO 0.10 -0.18 0.00 -0.90 0.23 0.00 0.00 176.35 175.60 3dxj n ASP 1103N -0.40 0.29 0.17 2.29 5.68 -1.07 -4.86 116.55 118.66 3dxj n ASP 1103Ca -0.08 -0.56 -0.15 0.00 -0.50 0.00 0.00 54.79 53.50 3dxj n ASP 1103Cb 0.61 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.50 3dxj n ASP 1103CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3dxj h GLU 1104N 0.00 -0.73 0.00 0.11 3.07 -2.02 0.40 114.58 115.40 3dxj h GLU 1104Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3dxj h GLU 1104Cb 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3dxj h GLU 1104CO 0.00 -0.49 0.18 1.63 -1.40 0.00 0.00 179.01 178.93 3dxj n LYS 1105N -5.09 0.03 -1.51 2.33 4.76 -1.26 -4.75 118.16 112.67 3dxj n LYS 1105Ca -0.09 0.43 -0.08 0.00 -2.87 0.00 0.00 58.31 55.70 3dxj n LYS 1105Cb 0.38 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 3dxj n LYS 1105CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3dxj n ASP 1106N -1.60 -3.64 -4.78 4.39 8.00 0.14 -5.01 116.55 114.05 3dxj n ASP 1106Ca -0.00 0.14 -0.38 0.00 0.71 0.00 0.00 54.79 55.25 3dxj n ASP 1106Cb 0.19 -2.19 -0.06 0.00 -0.02 0.00 0.00 41.12 39.04 3dxj n ASP 1106CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dxj s ASN 1107N -2.83 6.86 0.45 -2.24 0.01 -1.26 -4.63 114.94 111.30 3dxj s ASN 1107Ca 0.00 1.02 -0.21 0.00 -0.71 0.00 0.00 52.86 52.97 3dxj s ASN 1107Cb 0.00 -2.31 -0.13 0.00 0.41 0.00 0.00 41.25 39.22 3dxj s ASN 1107CO 0.00 0.16 0.32 -2.65 -1.51 0.00 0.00 177.10 173.42 3dxj n PRO 1108N 2.60 0.31 -4.12 -0.60 -0.02 -1.26 -2.59 135.00 129.31 3dxj n PRO 1108Ca -0.09 0.12 -0.23 0.00 -2.02 0.00 0.00 63.50 61.27 3dxj n PRO 1108Cb 0.51 -1.31 -0.17 0.00 -0.02 0.00 0.00 33.50 32.51 3dxj n PRO 1108CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dxj s VAL 1109N -1.64 0.74 -0.15 -1.45 1.01 0.59 -4.86 120.40 114.64 3dxj s VAL 1109Ca 0.62 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 3dxj s VAL 1109Cb -0.58 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3dxj s VAL 1109CO 0.60 0.29 1.13 -0.62 0.00 0.00 0.00 175.10 176.50 3dxj s ASP 1110N 1.23 7.08 -0.11 3.32 -1.08 -1.26 -4.64 116.67 121.21 3dxj s ASP 1110Ca -0.05 1.60 -0.12 0.00 -0.52 0.00 0.00 52.55 53.45 3dxj s ASP 1110Cb -0.14 -2.55 -0.27 0.00 -1.46 0.00 0.00 42.92 38.51 3dxj s ASP 1110CO -0.02 -0.63 0.48 0.16 0.52 0.00 0.00 175.17 175.68 3dxj h ILE 1111N 5.29 0.85 0.00 4.11 3.07 -1.99 -3.29 117.51 125.55 3dxj h ILE 1111Ca -0.27 -2.38 0.00 0.00 1.55 0.00 0.00 64.86 63.76 3dxj h ILE 1111Cb 1.11 2.60 0.00 0.00 -0.27 0.00 0.00 36.82 40.26 3dxj h ILE 1111CO 0.93 0.77 0.00 0.49 -1.05 0.00 0.00 178.15 179.29 3dxj n PHE 1112N -3.74 0.00 -3.48 0.16 3.01 -1.26 -4.92 117.46 107.23 3dxj n PHE 1112Ca -0.28 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.03 3dxj n PHE 1112Cb 0.97 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 40.33 3dxj n PHE 1112CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3dxj n GLU 1113N -1.11 -1.49 0.00 -1.08 0.28 -1.24 -2.96 120.64 113.03 3dxj n GLU 1113Ca 0.18 1.10 0.00 0.00 -0.16 0.00 0.00 57.16 58.28 3dxj n GLU 1113Cb 0.14 -3.69 0.00 0.00 1.43 0.00 0.00 31.44 29.31 3dxj n GLU 1113CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3dxj n GLY 1114N -1.61 2.27 0.00 -1.84 0.00 -1.26 -4.71 105.19 98.04 3dxj n GLY 1114Ca -0.18 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.35 3dxj n GLY 1114CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dxj n LEU 1115N 0.00 0.00 -0.05 0.99 4.77 -1.16 -2.40 117.00 119.16 3dxj n LEU 1115Ca 0.00 0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 3dxj n LEU 1115Cb 0.00 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 3dxj n LEU 1115CO 0.00 -0.22 -0.29 0.00 -1.33 0.00 0.00 177.39 175.55 3dxj n ALA 1116N -1.27 0.37 -1.66 -1.18 0.00 -1.26 -4.93 120.51 110.58 3dxj n ALA 1116Ca 0.03 -0.41 -0.49 0.00 0.00 0.00 0.00 53.44 52.57 3dxj n ALA 1116Cb 0.04 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 3dxj n ALA 1116CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dxj n SER 1117N -3.74 3.29 -1.81 0.00 7.64 -1.01 -4.98 113.62 113.01 3dxj n SER 1117Ca -0.06 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.71 3dxj n SER 1117Cb 0.22 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 3dxj n SER 1117CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3dxj n LYS 1118N 6.86 1.78 -0.76 1.43 2.85 -1.26 -4.95 118.16 124.11 3dxj n LYS 1118Ca 0.25 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.51 3dxj n LYS 1118Cb 0.29 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.67 3dxj n LYS 1118CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89