#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3a s LEU 23 N 0.00 3.22 0.75 1.04 1.43 -1.26 -5.02 118.68 118.84 3d3a s LEU 23 Ca 0.00 1.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 3d3a s LEU 23 Cb 0.00 -4.51 0.05 0.00 0.03 0.00 0.00 46.19 41.75 3d3a s LEU 23 CO 0.00 -1.52 1.10 -0.44 0.23 0.00 0.00 176.35 175.72 3d3a s SER 24 N -3.37 4.58 -0.37 2.29 0.01 -1.26 -4.68 113.70 110.89 3d3a s SER 24 Ca 0.61 1.89 -0.14 0.00 1.31 0.00 0.00 55.95 59.62 3d3a s SER 24 Cb -0.16 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.54 3d3a s SER 24 CO 0.50 -1.99 0.26 -1.61 0.41 0.00 0.00 173.24 170.81 3d3a s GLU 25 N -4.68 3.25 0.68 12.44 2.02 -1.26 -2.30 118.70 128.84 3d3a s GLU 25 Ca 0.63 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.78 3d3a s GLU 25 Cb -0.18 -3.87 0.09 0.00 0.10 0.00 0.00 34.13 30.26 3d3a s GLU 25 CO 0.52 -0.58 0.94 0.20 0.02 0.00 0.00 175.26 176.37 3d3a s GLY 26 N 1.70 1.77 0.04 -1.39 0.00 -0.65 -4.93 107.32 103.85 3d3a s GLY 26 Ca 0.05 -1.41 -0.05 0.00 0.00 0.00 0.00 44.72 43.31 3d3a s GLY 26 CO 0.10 -0.96 0.08 -0.51 0.00 0.00 0.00 173.10 171.81 3d3a s THR 27 N -3.08 0.14 -0.04 0.90 -4.23 -1.26 -3.14 115.64 104.92 3d3a s THR 27 Ca 0.63 -1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 3d3a s THR 27 Cb -0.08 -0.91 0.03 0.00 1.34 0.00 0.00 72.50 72.88 3d3a s THR 27 CO 0.43 -0.63 0.02 0.12 -0.54 0.00 0.00 174.62 174.03 3d3a s PHE 28 N -2.65 0.28 0.11 3.99 5.36 -1.26 -0.49 117.98 123.32 3d3a s PHE 28 Ca -0.05 0.06 0.04 0.00 -0.96 0.00 0.00 56.93 56.03 3d3a s PHE 28 Cb -0.01 -0.51 -0.04 0.00 -0.34 0.00 0.00 43.02 42.12 3d3a s PHE 28 CO -0.05 -0.19 -0.11 -1.21 -1.46 0.00 0.00 175.22 172.19 3d3a s GLU 29 N 1.66 0.91 -0.60 10.12 2.02 -0.05 -4.41 118.70 128.35 3d3a s GLU 29 Ca -0.01 -1.19 -0.22 0.00 0.02 0.00 0.00 54.97 53.57 3d3a s GLU 29 Cb -0.13 -0.66 0.06 0.00 0.10 0.00 0.00 34.13 33.51 3d3a s GLU 29 CO -0.03 0.11 0.88 0.08 0.02 0.00 0.00 175.26 176.32 3d3a s VAL 30 N -2.36 4.47 0.00 2.63 1.01 -1.26 -1.16 120.40 123.73 3d3a s VAL 30 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3d3a s VAL 30 Cb -0.03 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.78 3d3a s VAL 30 CO 0.01 -1.22 0.00 0.61 0.00 0.00 0.00 175.10 174.50 3d3a n GLY 31 N 5.24 0.74 3.47 4.51 0.00 0.54 -4.98 105.19 114.70 3d3a n GLY 31 Ca -0.03 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 3d3a n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d3a s LYS 32 N 1.19 3.18 -1.82 1.61 2.20 -1.26 -4.05 119.74 120.79 3d3a s LYS 32 Ca 0.00 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 3d3a s LYS 32 Cb 0.00 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 3d3a s LYS 32 CO 0.00 -1.52 0.00 0.09 -0.36 0.00 0.00 175.35 173.56 3d3a n ASN 33 N 7.09 -5.41 -3.56 1.43 4.13 0.19 -4.94 115.26 114.19 3d3a n ASN 33 Ca -0.03 0.21 -0.08 0.00 1.68 0.00 0.00 54.58 56.36 3d3a n ASN 33 Cb 0.46 -4.52 -0.03 0.00 -1.54 0.00 0.00 39.78 34.14 3d3a n ASN 33 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3d3a s THR 34 N -2.84 0.00 0.17 3.41 -1.32 -1.26 -4.73 115.64 109.07 3d3a s THR 34 Ca 0.00 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 3d3a s THR 34 Cb 0.00 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 3d3a s THR 34 CO 0.00 0.00 0.42 -0.36 -2.21 0.00 0.00 174.62 172.47 3d3a s PHE 35 N -2.16 3.47 -0.17 9.09 0.08 -1.25 -0.34 117.98 126.70 3d3a s PHE 35 Ca 0.04 0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.68 3d3a s PHE 35 Cb -0.01 -2.04 0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3d3a s PHE 35 CO -0.04 0.39 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.85 3d3a s LEU 36 N -2.80 1.83 -0.42 -0.37 1.43 -0.31 -0.45 118.68 117.60 3d3a s LEU 36 Ca 0.42 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 3d3a s LEU 36 Cb -0.12 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 45.01 3d3a s LEU 36 CO 0.25 -0.12 0.31 -0.22 0.23 0.00 0.00 176.35 176.80 3d3a s LEU 37 N 1.50 5.16 -1.37 1.79 2.96 0.95 -0.87 118.68 128.79 3d3a s LEU 37 Ca 0.02 -0.98 -0.06 0.00 -0.22 0.00 0.00 54.13 52.90 3d3a s LEU 37 Cb -0.14 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.42 3d3a s LEU 37 CO -0.09 -0.48 0.89 0.59 -1.32 0.00 0.00 176.35 175.95 3d3a n ASN 38 N 5.15 -3.13 0.00 3.68 5.03 0.35 -1.88 115.26 124.46 3d3a n ASN 38 Ca -0.11 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.59 3d3a n ASN 38 Cb 0.46 -4.27 0.00 0.00 -1.02 0.00 0.00 39.78 34.95 3d3a n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d3a n GLY 39 N -1.62 2.63 3.76 7.41 0.00 -1.26 -5.01 105.19 111.10 3d3a n GLY 39 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3d3a n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d3a s GLU 40 N -0.01 3.01 0.41 1.61 0.41 -0.79 -4.98 118.70 118.37 3d3a s GLU 40 Ca 0.00 -0.50 -0.27 0.00 -0.41 0.00 0.00 54.97 53.80 3d3a s GLU 40 Cb 0.00 -2.83 -0.10 0.00 -1.78 0.00 0.00 34.13 29.43 3d3a s GLU 40 CO 0.00 0.65 1.45 -0.35 -0.49 0.00 0.00 175.26 176.52 3d3a n PRO 41 N 1.31 2.44 -3.74 0.39 -0.04 -1.26 -0.04 135.00 134.07 3d3a n PRO 41 Ca -0.14 0.86 -0.12 0.00 -0.04 0.00 0.00 63.50 64.06 3d3a n PRO 41 Cb 0.53 -2.63 -0.13 0.00 -0.04 0.00 0.00 33.50 31.23 3d3a n PRO 41 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3d3a s PHE 42 N -1.15 -0.31 -0.23 0.54 5.36 0.41 -4.74 117.98 117.85 3d3a s PHE 42 Ca 0.57 0.74 -0.09 0.00 -0.96 0.00 0.00 56.93 57.19 3d3a s PHE 42 Cb -0.47 0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.22 3d3a s PHE 42 CO 0.61 -0.21 0.11 0.08 -1.46 0.00 0.00 175.22 174.35 3d3a s VAL 43 N 1.02 4.84 -0.30 3.12 1.01 -1.26 -3.91 120.40 124.92 3d3a s VAL 43 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 3d3a s VAL 43 Cb -0.09 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.06 3d3a s VAL 43 CO -0.07 0.36 1.12 -0.69 0.00 0.00 0.00 175.10 175.83 3d3a s VAL 44 N 1.13 4.45 -0.67 2.92 1.01 -1.26 -4.95 120.40 123.03 3d3a s VAL 44 Ca 0.05 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.72 3d3a s VAL 44 Cb -0.14 -4.35 0.17 0.00 0.00 0.00 0.00 36.38 32.06 3d3a s VAL 44 CO 0.04 -0.44 0.48 -0.54 0.00 0.00 0.00 175.10 174.64 3d3a s LYS 45 N 3.68 2.57 0.12 2.72 1.02 -1.26 -0.96 119.74 127.64 3d3a s LYS 45 Ca 0.47 -2.85 -0.02 0.00 0.02 0.00 0.00 55.97 53.59 3d3a s LYS 45 Cb -0.14 -3.63 -0.05 0.00 -0.52 0.00 0.00 37.83 33.49 3d3a s LYS 45 CO 0.16 -1.20 0.31 0.00 -0.92 0.00 0.00 175.35 173.70 3d3a s ALA 46 N -0.63 3.88 -0.18 5.17 0.00 0.66 -0.81 121.76 129.86 3d3a s ALA 46 Ca 0.20 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 3d3a s ALA 46 Cb -0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 3d3a s ALA 46 CO -0.07 0.70 -0.03 0.00 0.00 0.00 0.00 175.76 176.37 3d3a s ALA 47 N -1.63 2.97 -0.08 0.00 0.00 0.16 -0.99 121.76 122.20 3d3a s ALA 47 Ca 0.38 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 3d3a s ALA 47 Cb -0.12 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 3d3a s ALA 47 CO 0.26 0.03 0.82 -2.00 0.00 0.00 0.00 175.76 174.88 3d3a s GLU 48 N 0.68 4.43 0.03 0.00 2.56 -1.11 -1.02 118.70 124.27 3d3a s GLU 48 Ca -0.02 1.08 0.03 0.00 0.00 0.00 0.00 54.97 56.06 3d3a s GLU 48 Cb -0.14 -3.49 -0.02 0.00 2.00 0.00 0.00 34.13 32.48 3d3a s GLU 48 CO 0.02 -0.08 -0.09 0.42 -0.56 0.00 0.00 175.26 174.97 3d3a s ILE 49 N 1.24 0.66 -0.35 -3.70 -1.09 -0.97 -3.21 121.20 113.79 3d3a s ILE 49 Ca 0.42 -0.84 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 3d3a s ILE 49 Cb -0.18 -0.65 0.10 0.00 -1.58 0.00 0.00 42.46 40.15 3d3a s ILE 49 CO 0.19 -0.15 0.08 -1.00 -1.23 0.00 0.00 174.94 172.83 3d3a s HIS 50 N -0.91 3.27 0.52 3.97 3.76 -1.26 -4.27 115.29 120.37 3d3a s HIS 50 Ca -0.04 -2.74 0.28 0.00 -0.15 0.00 0.00 55.06 52.40 3d3a s HIS 50 Cb -0.07 -2.65 1.41 0.00 1.11 0.00 0.00 32.58 32.38 3d3a s HIS 50 CO 0.00 -0.92 1.94 0.10 -0.85 0.00 0.00 174.74 175.01 3d3a h TYR 51 N 7.62 0.04 0.00 1.40 -0.00 -1.92 -0.08 116.97 124.04 3d3a h TYR 51 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.64 3d3a h TYR 51 Cb 1.01 -0.01 -0.00 0.00 0.00 0.00 0.00 36.73 37.72 3d3a h TYR 51 CO 0.44 0.01 -0.14 -1.35 -0.00 0.00 0.00 178.16 177.13 3d3a h PRO 52 N 0.03 0.00 -0.54 0.10 0.11 -1.95 -3.00 132.00 126.76 3d3a h PRO 52 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3d3a h PRO 52 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3d3a h PRO 52 CO -0.02 0.14 0.00 0.54 -0.21 0.00 0.00 178.00 178.45 3d3a n ARG 53 N -3.25 2.44 -3.89 1.05 1.74 -0.04 -4.68 116.66 110.02 3d3a n ARG 53 Ca 0.01 -1.72 -0.19 0.00 -0.77 0.00 0.00 57.85 55.17 3d3a n ARG 53 Cb 0.41 -1.53 -0.17 0.00 -1.02 0.00 0.00 32.46 30.15 3d3a n ARG 53 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3d3a s ILE 54 N -1.59 0.24 0.20 0.55 1.01 -1.13 -0.87 121.20 119.61 3d3a s ILE 54 Ca 0.31 0.10 -0.32 0.00 0.00 0.00 0.00 60.65 60.75 3d3a s ILE 54 Cb 0.19 -0.36 -0.15 0.00 0.01 0.00 0.00 42.46 42.15 3d3a s ILE 54 CO 0.18 0.19 1.30 -2.65 0.00 0.00 0.00 174.94 173.95 3d3a n PRO 55 N 4.51 1.60 0.14 2.79 -0.02 -1.26 -4.78 135.00 137.98 3d3a n PRO 55 Ca -0.19 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.05 3d3a n PRO 55 Cb 0.50 -2.16 0.78 0.00 -0.02 0.00 0.00 33.50 32.61 3d3a n PRO 55 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3d3a h LYS 56 N 3.89 0.00 0.00 -0.52 2.10 -1.92 0.44 116.57 120.57 3d3a h LYS 56 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3d3a h LYS 56 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3d3a h LYS 56 CO 0.74 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.12 3d3a h GLU 57 N 0.00 0.00 -0.02 0.07 3.07 -1.97 -3.03 114.58 112.69 3d3a h GLU 57 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3d3a h GLU 57 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3d3a h GLU 57 CO -0.00 0.00 -0.06 0.66 -1.40 0.00 0.00 179.01 178.21 3d3a n TYR 58 N -2.44 0.00 -0.16 4.33 4.01 0.15 -4.59 117.16 118.46 3d3a n TYR 58 Ca 0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.75 3d3a n TYR 58 Cb 0.33 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.42 3d3a n TYR 58 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3d3a h TRP 59 N 3.02 -0.08 0.27 -0.72 6.55 -1.38 -0.22 115.95 123.39 3d3a h TRP 59 Ca 0.00 0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.87 3d3a h TRP 59 Cb 0.67 0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 29.08 3d3a h TRP 59 CO 0.00 -0.14 -0.20 1.49 -1.05 0.00 0.00 178.44 178.54 3d3a h GLU 60 N 0.09 -0.45 -0.44 0.49 4.81 -1.81 0.17 114.58 117.45 3d3a h GLU 60 Ca 0.26 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.60 3d3a h GLU 60 Cb 0.39 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 3d3a h GLU 60 CO -0.45 -0.30 0.00 1.25 -0.73 0.00 0.00 179.01 178.79 3d3a h HIS 61 N -0.46 -0.02 -0.24 0.92 2.76 -1.70 -0.11 115.15 116.29 3d3a h HIS 61 Ca -0.02 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 3d3a h HIS 61 Cb 0.40 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 3d3a h HIS 61 CO -0.11 -0.09 -0.11 0.00 -1.30 0.00 0.00 177.93 176.31 3d3a h ARG 62 N 0.11 0.39 -0.53 5.26 2.47 -0.84 -2.28 114.38 118.97 3d3a h ARG 62 Ca 0.22 -0.10 -0.08 0.00 -1.26 0.00 0.00 59.98 58.76 3d3a h ARG 62 Cb 0.31 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 3d3a h ARG 62 CO -0.36 0.51 0.03 0.82 0.56 0.00 0.00 179.97 181.53 3d3a h ILE 63 N 0.37 1.26 0.00 2.04 2.04 0.45 -2.28 117.51 121.39 3d3a h ILE 63 Ca 0.07 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3d3a h ILE 63 Cb 0.43 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3d3a h ILE 63 CO 0.02 0.37 0.00 0.29 0.00 0.00 0.00 178.15 178.84 3d3a n LYS 64 N -4.32 0.28 0.00 2.37 5.02 -0.19 -1.73 118.16 119.59 3d3a n LYS 64 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3d3a n LYS 64 Cb 0.30 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 3d3a n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d3a h LYS 67 N 0.00 0.42 0.00 0.00 3.64 -1.62 -2.85 116.57 116.16 3d3a h LYS 67 Ca 0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3d3a h LYS 67 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3d3a h LYS 67 CO 0.00 0.73 0.00 0.00 -2.27 0.00 0.00 179.45 177.91 3d3a h ALA 68 N 0.68 1.00 0.00 5.00 0.00 -1.34 -2.16 119.26 122.44 3d3a h ALA 68 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3d3a h ALA 68 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3d3a h ALA 68 CO 0.03 0.00 -0.22 1.25 0.00 0.00 0.00 179.25 180.32 3d3a h LEU 69 N 0.00 0.00 0.00 0.00 5.85 -1.75 -3.42 115.31 115.99 3d3a h LEU 69 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3d3a h LEU 69 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3d3a h LEU 69 CO 0.00 0.22 0.00 0.61 -0.34 0.00 0.00 178.44 178.93 3d3a n GLY 70 N 0.33 0.78 0.00 3.75 0.00 -0.81 -4.03 105.19 105.21 3d3a n GLY 70 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3d3a n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d3a n ASN 72 N 0.00 0.00 -3.82 1.61 0.23 0.01 -4.96 115.26 108.34 3d3a n ASN 72 Ca 0.00 -0.53 -0.12 0.00 -0.53 0.00 0.00 54.58 53.40 3d3a n ASN 72 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 3d3a n ASN 72 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3d3a s THR 73 N 0.00 0.08 -0.08 5.53 2.01 -1.05 -2.27 115.64 119.86 3d3a s THR 73 Ca 0.00 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.41 3d3a s THR 73 Cb 0.00 -0.61 -0.00 0.00 0.01 0.00 0.00 72.50 71.89 3d3a s THR 73 CO 0.00 -0.35 -0.23 -0.63 -0.69 0.00 0.00 174.62 172.72 3d3a s ILE 74 N -1.62 1.96 -0.23 1.82 1.01 0.64 0.41 121.20 125.19 3d3a s ILE 74 Ca -0.12 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 3d3a s ILE 74 Cb -0.05 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 3d3a s ILE 74 CO 0.02 0.54 0.11 0.00 0.00 0.00 0.00 174.94 175.61 3d3a s LEU 76 N 1.08 2.97 0.47 0.00 1.43 0.54 -2.28 118.68 122.89 3d3a s LEU 76 Ca 0.06 -1.02 -0.20 0.00 -1.03 0.00 0.00 54.13 51.94 3d3a s LEU 76 Cb -0.14 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 3d3a s LEU 76 CO 0.04 -0.11 0.98 -0.31 0.23 0.00 0.00 176.35 177.18 3d3a s TYR 77 N 1.22 3.25 -0.21 0.29 2.02 -1.26 -0.67 117.35 121.99 3d3a s TYR 77 Ca -0.02 1.57 -0.03 0.00 -0.37 0.00 0.00 57.07 58.22 3d3a s TYR 77 Cb -0.17 -2.90 -0.00 0.00 -0.40 0.00 0.00 41.96 38.49 3d3a s TYR 77 CO -0.07 -0.38 -0.07 0.08 -1.57 0.00 0.00 175.55 173.54 3d3a s VAL 78 N -2.24 3.15 -0.60 0.71 1.01 0.26 -4.84 120.40 117.86 3d3a s VAL 78 Ca 0.63 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 3d3a s VAL 78 Cb -0.11 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 33.93 3d3a s VAL 78 CO 0.19 0.45 0.84 -0.36 0.00 0.00 0.00 175.10 176.22 3d3a s PHE 79 N 1.35 2.83 0.13 5.22 0.40 -1.26 -4.09 117.98 122.56 3d3a s PHE 79 Ca 0.04 -0.59 -0.31 0.00 -0.60 0.00 0.00 56.93 55.47 3d3a s PHE 79 Cb -0.14 -4.07 -0.08 0.00 0.51 0.00 0.00 43.02 39.23 3d3a s PHE 79 CO -0.04 -1.42 1.57 2.35 0.70 0.00 0.00 175.22 178.37 3d3a h TRP 80 N 9.35 -1.40 0.00 0.36 2.91 -1.81 -1.87 115.95 123.49 3d3a h TRP 80 Ca -0.28 0.06 -0.00 0.00 1.13 0.00 0.00 58.89 59.79 3d3a h TRP 80 Cb 1.08 0.63 -0.00 0.00 -0.51 0.00 0.00 29.16 30.36 3d3a h TRP 80 CO 0.89 -0.51 -0.00 -2.95 -1.03 0.00 0.00 178.44 174.84 3d3a h ASN 81 N -0.53 0.00 -0.24 2.65 7.08 -0.85 -0.52 115.58 123.18 3d3a h ASN 81 Ca 0.06 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.10 3d3a h ASN 81 Cb 0.65 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.89 3d3a h ASN 81 CO -0.43 0.00 -0.53 0.15 -2.08 0.00 0.00 177.43 174.54 3d3a h PHE 82 N 0.00 1.04 0.00 4.14 3.57 -1.62 -2.76 116.94 121.31 3d3a h PHE 82 Ca -0.00 -0.36 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 3d3a h PHE 82 Cb 0.02 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3d3a h PHE 82 CO 0.00 1.18 -0.86 0.45 -2.23 0.00 0.00 178.31 176.85 3d3a h HIS 83 N 0.64 0.00 -2.03 0.41 3.86 -1.09 -3.40 115.15 113.54 3d3a h HIS 83 Ca 0.02 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.67 3d3a h HIS 83 Cb 1.13 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 29.20 3d3a h HIS 83 CO 0.07 0.18 -1.04 -1.91 0.86 0.00 0.00 177.93 176.09 3d3a n GLU 84 N -2.86 1.00 0.27 2.45 2.13 -0.32 0.61 120.64 123.92 3d3a n GLU 84 Ca -0.01 -3.44 0.18 0.00 0.66 0.00 0.00 57.16 54.54 3d3a n GLU 84 Cb 0.63 -1.39 0.82 0.00 0.27 0.00 0.00 31.44 31.78 3d3a n GLU 84 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3d3a h PRO 85 N 3.95 0.00 -4.60 5.31 0.13 -1.67 -3.42 132.00 131.70 3d3a h PRO 85 Ca 0.09 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.86 3d3a h PRO 85 Cb 0.85 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.71 3d3a h PRO 85 CO 0.52 0.00 -0.76 -1.21 -0.23 0.00 0.00 178.00 176.31 3d3a s GLU 86 N -3.76 0.61 0.16 0.86 0.41 -1.26 -4.86 118.70 110.85 3d3a s GLU 86 Ca -0.01 -0.36 -0.34 0.00 -0.41 0.00 0.00 54.97 53.85 3d3a s GLU 86 Cb 0.10 -0.56 -0.14 0.00 -1.78 0.00 0.00 34.13 31.75 3d3a s GLU 86 CO 0.45 0.15 1.57 -1.91 -0.49 0.00 0.00 175.26 175.02 3d3a n GLU 87 N 2.63 2.14 0.00 1.61 2.13 -1.26 -1.55 120.64 126.34 3d3a n GLU 87 Ca -0.15 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.44 3d3a n GLU 87 Cb 0.57 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.75 3d3a n GLU 87 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3d3a n GLY 88 N 3.33 2.90 3.32 8.31 0.00 -1.26 -4.95 105.19 116.85 3d3a n GLY 88 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3d3a n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3a n ARG 89 N -2.00 3.59 -2.43 1.61 1.74 -0.59 -5.02 116.66 113.55 3d3a n ARG 89 Ca 0.00 -4.24 -0.40 0.00 -0.77 0.00 0.00 57.85 52.44 3d3a n ARG 89 Cb 0.00 -2.71 -0.04 0.00 -1.02 0.00 0.00 32.46 28.69 3d3a n ARG 89 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3d3a s TYR 90 N -0.51 3.45 -0.04 -1.55 2.02 -1.26 -4.29 117.35 115.17 3d3a s TYR 90 Ca 0.35 1.66 -0.00 0.00 -0.37 0.00 0.00 57.07 58.70 3d3a s TYR 90 Cb -0.06 -3.32 0.03 0.00 -0.40 0.00 0.00 41.96 38.22 3d3a s TYR 90 CO -0.03 -0.75 0.01 0.34 -1.57 0.00 0.00 175.55 173.55 3d3a s ASP 91 N -0.93 0.85 -0.03 2.29 -1.08 0.20 -4.99 116.67 112.98 3d3a s ASP 91 Ca 0.47 -0.02 0.24 0.00 -0.52 0.00 0.00 52.55 52.72 3d3a s ASP 91 Cb -0.32 -0.26 0.43 0.00 -1.46 0.00 0.00 42.92 41.31 3d3a s ASP 91 CO 0.41 -0.15 1.18 0.49 0.52 0.00 0.00 175.17 177.61 3d3a n PHE 92 N 4.59 0.02 -4.10 -5.34 3.72 -1.26 -4.53 117.46 110.57 3d3a n PHE 92 Ca -0.17 -0.67 -0.27 0.00 -0.05 0.00 0.00 57.45 56.29 3d3a n PHE 92 Cb 0.50 -0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 38.81 3d3a n PHE 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d3a s ALA 93 N -0.52 3.49 0.00 4.37 0.00 -1.26 -3.15 121.76 124.69 3d3a s ALA 93 Ca 0.35 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3d3a s ALA 93 Cb 0.39 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 22.20 3d3a s ALA 93 CO -0.15 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3d3a n GLY 94 N -0.08 4.02 0.28 0.00 0.00 -1.26 -1.29 105.19 106.87 3d3a n GLY 94 Ca -0.09 0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.26 3d3a n GLY 94 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3d3a h GLN 95 N 0.00 0.00 -0.69 1.61 1.08 -1.97 -1.48 115.11 113.66 3d3a h GLN 95 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3d3a h GLN 95 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3d3a h GLN 95 CO 0.00 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.51 3d3a n LYS 96 N -2.84 2.71 -2.30 1.46 5.02 -0.41 -4.68 118.16 117.12 3d3a n LYS 96 Ca -0.02 -2.62 -0.43 0.00 -2.02 0.00 0.00 58.31 53.23 3d3a n LYS 96 Cb 0.10 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3d3a n LYS 96 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3d3a n ASP 97 N 1.61 4.76 0.23 4.39 -0.08 -0.56 -4.11 116.55 122.80 3d3a n ASP 97 Ca 0.24 -2.99 0.12 0.00 -1.51 0.00 0.00 54.79 50.65 3d3a n ASP 97 Cb 0.62 -1.57 0.74 0.00 2.34 0.00 0.00 41.12 43.24 3d3a n ASP 97 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3d3a h ILE 98 N 4.18 0.79 -0.42 5.18 2.10 -1.86 -0.79 117.51 126.70 3d3a h ILE 98 Ca 0.44 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 66.34 3d3a h ILE 98 Cb 0.70 0.95 -0.02 0.00 -1.09 0.00 0.00 36.82 37.36 3d3a h ILE 98 CO 1.61 0.00 0.12 0.00 -1.08 0.00 0.00 178.15 178.80 3d3a h ALA 99 N 1.94 0.55 -0.70 0.18 0.00 -1.86 -1.25 119.26 118.11 3d3a h ALA 99 Ca 0.04 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3d3a h ALA 99 Cb 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3d3a h ALA 99 CO -0.00 0.20 0.43 0.00 0.00 0.00 0.00 179.25 179.89 3d3a h ALA 100 N 0.97 0.92 -0.37 0.00 0.00 -1.54 0.13 119.26 119.38 3d3a h ALA 100 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3d3a h ALA 100 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d3a h ALA 100 CO -0.00 0.19 0.21 0.35 0.00 0.00 0.00 179.25 179.99 3d3a h PHE 101 N 0.83 0.50 -0.84 0.00 3.57 -1.16 0.80 116.94 120.64 3d3a h PHE 101 Ca 0.29 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3d3a h PHE 101 Cb 0.06 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 3d3a h PHE 101 CO -0.05 0.38 0.46 0.00 -2.23 0.00 0.00 178.31 176.87 3d3a h ARG 103 N 1.18 0.51 -0.86 0.00 3.08 -0.32 0.10 114.38 118.07 3d3a h ARG 103 Ca 0.30 -0.09 0.10 0.00 0.07 0.00 0.00 59.98 60.35 3d3a h ARG 103 Cb 0.04 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 29.93 3d3a h ARG 103 CO -0.05 0.50 0.51 -0.07 -1.07 0.00 0.00 179.97 179.79 3d3a h LEU 104 N 0.40 0.74 -0.69 3.04 3.38 -0.32 0.15 115.31 122.02 3d3a h LEU 104 Ca 0.11 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3d3a h LEU 104 Cb 0.18 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3d3a h LEU 104 CO -0.01 0.42 0.37 0.00 0.09 0.00 0.00 178.44 179.32 3d3a h ALA 105 N 1.46 0.88 -0.53 1.53 0.00 -0.03 -2.61 119.26 119.96 3d3a h ALA 105 Ca 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3d3a h ALA 105 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3d3a h ALA 105 CO -0.24 0.40 0.19 0.37 0.00 0.00 0.00 179.25 179.97 3d3a h GLN 106 N 0.94 0.81 0.00 0.00 4.15 0.93 -2.29 115.11 119.65 3d3a h GLN 106 Ca 0.24 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3d3a h GLN 106 Cb 0.04 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.61 3d3a h GLN 106 CO -0.04 0.73 0.00 0.39 -1.93 0.00 0.00 178.83 177.98 3d3a n GLU 107 N -4.50 0.12 -0.31 1.69 1.02 0.36 -0.58 120.64 118.44 3d3a n GLU 107 Ca 0.02 0.59 0.08 0.00 -0.02 0.00 0.00 57.16 57.83 3d3a n GLU 107 Cb 0.18 -1.87 0.21 0.00 -0.02 0.00 0.00 31.44 29.93 3d3a n GLU 107 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3d3a n ASN 108 N -2.13 3.38 -2.67 1.62 3.02 -0.88 -5.09 115.26 112.52 3d3a n ASN 108 Ca -0.01 -2.77 -0.01 0.00 -0.03 0.00 0.00 54.58 51.76 3d3a n ASN 108 Cb 0.05 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.77 3d3a n ASN 108 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d3a n GLY 109 N -0.44 -4.44 3.11 7.41 0.00 0.25 -5.05 105.19 106.03 3d3a n GLY 109 Ca 0.17 0.64 -0.08 0.00 0.00 0.00 0.00 46.02 46.75 3d3a n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d3a s TYR 111 N -1.46 0.64 0.00 1.61 1.51 -0.96 -4.97 117.35 113.72 3d3a s TYR 111 Ca -0.04 -1.09 0.05 0.00 -1.01 0.00 0.00 57.07 54.98 3d3a s TYR 111 Cb 0.00 -0.43 -0.01 0.00 -0.11 0.00 0.00 41.96 41.41 3d3a s TYR 111 CO 0.77 -0.38 -0.14 0.08 -1.11 0.00 0.00 175.55 174.77 3d3a s VAL 112 N -3.91 1.12 -0.14 0.71 1.01 -0.08 -0.26 120.40 118.85 3d3a s VAL 112 Ca 0.11 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3d3a s VAL 112 Cb 0.08 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 3d3a s VAL 112 CO -0.07 0.24 -0.18 -0.63 0.00 0.00 0.00 175.10 174.46 3d3a s ILE 113 N -0.45 2.45 -0.13 2.22 1.01 -0.41 -0.82 121.20 125.06 3d3a s ILE 113 Ca 0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3d3a s ILE 113 Cb -0.06 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3d3a s ILE 113 CO -0.00 0.53 0.05 -0.69 0.00 0.00 0.00 174.94 174.83 3d3a s VAL 114 N 0.65 4.69 -0.60 2.92 1.01 -1.26 -0.34 120.40 127.46 3d3a s VAL 114 Ca -0.09 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3d3a s VAL 114 Cb -0.16 -3.04 0.15 0.00 0.00 0.00 0.00 36.38 33.32 3d3a s VAL 114 CO 0.02 0.55 0.37 -0.13 0.00 0.00 0.00 175.10 175.91 3d3a s ARG 115 N -0.35 2.18 0.00 2.72 0.52 0.15 -0.22 118.95 123.94 3d3a s ARG 115 Ca 0.08 -2.95 0.00 0.00 -0.52 0.00 0.00 55.73 52.35 3d3a s ARG 115 Cb -0.12 -3.31 0.00 0.00 0.52 0.00 0.00 34.95 32.04 3d3a s ARG 115 CO 0.02 -1.20 0.26 -0.35 0.02 0.00 0.00 175.30 174.05 3d3a n PRO 116 N 2.57 0.42 0.00 3.54 -0.04 -1.26 -0.57 135.00 139.66 3d3a n PRO 116 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3d3a n PRO 116 Cb 0.34 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 3d3a n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d3a n GLY 117 N 0.21 0.70 0.27 0.55 0.00 -1.26 -4.78 105.19 100.87 3d3a n GLY 117 Ca 0.00 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.30 3d3a n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d3a h PRO 118 N 0.00 0.00 -5.52 1.61 0.13 -1.92 -3.30 132.00 123.01 3d3a h PRO 118 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 3d3a h PRO 118 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 3d3a h PRO 118 CO 0.00 0.08 -0.56 -0.47 -0.23 0.00 0.00 178.00 176.82 3d3a s TYR 119 N -4.49 3.29 0.00 1.56 5.04 -1.26 -4.27 117.35 117.21 3d3a s TYR 119 Ca -0.04 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 3d3a s TYR 119 Cb 0.15 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 40.48 3d3a s TYR 119 CO 0.60 0.34 0.00 1.33 -1.34 0.00 0.00 175.55 176.48 3d3a n VAL 120 N 2.90 0.00 0.00 3.14 0.24 0.74 -4.36 118.33 120.99 3d3a n VAL 120 Ca -0.18 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3d3a n VAL 120 Cb 0.53 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 3d3a n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d3a n ALA 122 N 6.57 -1.17 -3.06 0.00 0.00 -1.26 -1.21 120.51 120.37 3d3a n ALA 122 Ca 0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 3d3a n ALA 122 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.29 3d3a n ALA 122 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d3a n GLU 123 N -3.77 -3.00 -4.27 0.00 4.71 -1.26 -4.92 120.64 108.13 3d3a n GLU 123 Ca 0.10 0.46 -0.29 0.00 -0.01 0.00 0.00 57.16 57.42 3d3a n GLU 123 Cb 0.46 -5.12 -0.10 0.00 -1.01 0.00 0.00 31.44 25.67 3d3a n GLU 123 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 3d3a s TRP 124 N -2.77 2.63 0.00 -0.32 -0.11 -0.35 -0.93 118.94 117.09 3d3a s TRP 124 Ca 0.26 -0.21 0.00 0.00 1.22 0.00 0.00 56.10 57.37 3d3a s TRP 124 Cb -0.14 -1.37 0.00 0.00 -1.50 0.00 0.00 33.47 30.46 3d3a s TRP 124 CO 0.33 0.42 0.00 -1.91 -4.62 0.00 0.00 176.95 171.17 3d3a n GLU 125 N 0.64 0.00 0.00 5.86 4.07 0.13 -4.01 120.64 127.33 3d3a n GLU 125 Ca -0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 3d3a n GLU 125 Cb 0.53 -0.36 0.00 0.00 -0.06 0.00 0.00 31.44 31.55 3d3a n GLU 125 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3d3a n GLY 127 N 0.43 0.00 0.91 8.31 0.00 -1.26 -4.15 105.19 109.43 3d3a n GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3d3a n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d3a n GLY 128 N 0.39 3.22 3.75 -0.02 0.00 -1.26 -0.18 105.19 111.09 3d3a n GLY 128 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3d3a n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d3a s LEU 129 N 0.00 4.49 0.18 0.99 1.43 -1.26 -0.20 118.68 124.31 3d3a s LEU 129 Ca 0.00 2.33 -0.30 0.00 -1.03 0.00 0.00 54.13 55.13 3d3a s LEU 129 Cb 0.00 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3d3a s LEU 129 CO 0.00 -0.31 1.24 -2.16 0.23 0.00 0.00 176.35 175.35 3d3a s PRO 130 N -0.97 4.45 0.42 1.29 0.04 -1.26 -4.72 135.00 134.24 3d3a s PRO 130 Ca 0.49 1.93 0.13 0.00 0.04 0.00 0.00 61.00 63.59 3d3a s PRO 130 Cb -0.34 -3.23 0.98 0.00 0.04 0.00 0.00 34.50 31.95 3d3a s PRO 130 CO 0.41 -0.15 1.95 0.11 0.04 0.00 0.00 177.00 179.36 3d3a h TRP 131 N 5.37 0.52 0.00 0.56 5.08 -1.93 -2.17 115.95 123.38 3d3a h TRP 131 Ca -0.44 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.54 3d3a h TRP 131 Cb 1.21 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 3d3a h TRP 131 CO 0.62 0.24 0.00 -2.67 -1.28 0.00 0.00 178.44 175.35 3d3a n TRP 132 N -4.48 0.00 0.11 0.12 4.27 -1.26 -0.61 117.44 115.59 3d3a n TRP 132 Ca 0.12 0.00 -0.03 0.00 -3.89 0.00 0.00 57.50 53.69 3d3a n TRP 132 Cb 0.40 -0.43 0.15 0.00 -1.36 0.00 0.00 31.31 30.07 3d3a n TRP 132 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 3d3a h LEU 133 N 0.00 0.16 0.00 5.67 3.38 -1.79 -2.75 115.31 119.98 3d3a h LEU 133 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3d3a h LEU 133 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3d3a h LEU 133 CO 0.00 0.72 0.00 0.18 0.09 0.00 0.00 178.44 179.43 3d3a n LEU 134 N -3.85 0.00 0.28 1.67 4.77 0.22 -2.14 117.00 117.95 3d3a n LEU 134 Ca -0.02 0.31 0.16 0.00 -0.03 0.00 0.00 56.01 56.43 3d3a n LEU 134 Cb 0.61 -0.31 0.76 0.00 -2.33 0.00 0.00 43.42 42.15 3d3a n LEU 134 CO 0.43 -0.18 1.00 0.11 -1.33 0.00 0.00 177.39 177.42 3d3a h LYS 135 N 0.00 0.00 -4.84 3.23 1.57 -1.62 -3.33 116.57 111.58 3d3a h LYS 135 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 3d3a h LYS 135 Cb 0.13 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.25 3d3a h LYS 135 CO 0.00 0.06 0.42 0.21 -0.57 0.00 0.00 179.45 179.57 3d3a s LYS 136 N -3.87 3.29 0.22 3.15 2.20 -0.91 -4.93 119.74 118.88 3d3a s LYS 136 Ca -0.01 -1.49 -0.09 0.00 -0.36 0.00 0.00 55.97 54.02 3d3a s LYS 136 Cb 0.11 -4.48 0.32 0.00 -1.51 0.00 0.00 37.83 32.27 3d3a s LYS 136 CO 0.54 -1.64 1.26 1.63 -0.36 0.00 0.00 175.35 176.78 3d3a n LYS 137 N 6.39 -0.11 -0.59 4.03 5.02 -1.25 -0.10 118.16 131.56 3d3a n LYS 137 Ca 0.05 1.26 0.06 0.00 -2.02 0.00 0.00 58.31 57.65 3d3a n LYS 137 Cb 0.46 -1.87 0.29 0.00 -0.02 0.00 0.00 35.03 33.88 3d3a n LYS 137 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3d3a n ASP 138 N -5.28 4.21 -4.68 4.39 5.75 -1.26 -4.97 116.55 114.70 3d3a n ASP 138 Ca 0.12 -2.55 -0.41 0.00 -0.01 0.00 0.00 54.79 51.93 3d3a n ASP 138 Cb 0.38 -0.58 0.01 0.00 -1.03 0.00 0.00 41.12 39.90 3d3a n ASP 138 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3d3a n ILE 139 N 0.60 2.47 -4.11 2.12 0.13 0.86 -4.98 119.36 116.45 3d3a n ILE 139 Ca 0.20 -0.50 -0.34 0.00 -1.10 0.00 0.00 62.75 61.01 3d3a n ILE 139 Cb 0.86 -1.48 -0.14 0.00 -0.84 0.00 0.00 39.64 38.03 3d3a n ILE 139 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 3d3a s LYS 140 N -2.12 3.32 0.19 9.51 1.02 -1.26 -5.09 119.74 125.30 3d3a s LYS 140 Ca 0.61 -0.67 -0.10 0.00 0.02 0.00 0.00 55.97 55.83 3d3a s LYS 140 Cb -0.53 -2.86 -0.07 0.00 -0.52 0.00 0.00 37.83 33.85 3d3a s LYS 140 CO 0.58 -0.12 0.51 -0.51 -0.92 0.00 0.00 175.35 174.90 3d3a s LEU 141 N 1.22 4.23 -1.32 3.17 1.43 -1.26 -4.40 118.68 121.75 3d3a s LEU 141 Ca 0.02 0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 53.97 3d3a s LEU 141 Cb -0.14 -3.48 0.02 0.00 0.03 0.00 0.00 46.19 42.61 3d3a s LEU 141 CO -0.03 0.00 0.93 0.54 0.23 0.00 0.00 176.35 178.02 3d3a n ARG 142 N 0.17 -6.09 -3.83 1.70 1.74 -1.26 -4.98 116.66 104.11 3d3a n ARG 142 Ca -0.02 0.72 -0.06 0.00 -0.77 0.00 0.00 57.85 57.72 3d3a n ARG 142 Cb 0.52 -5.57 0.01 0.00 -1.02 0.00 0.00 32.46 26.41 3d3a n ARG 142 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3d3a s GLU 143 N -5.96 1.76 0.00 5.56 -1.05 -1.26 -5.05 118.70 112.69 3d3a s GLU 143 Ca 0.22 -1.09 -0.02 0.00 -0.15 0.00 0.00 54.97 53.93 3d3a s GLU 143 Cb -0.10 0.52 -0.08 0.00 -0.44 0.00 0.00 34.13 34.03 3d3a s GLU 143 CO 0.78 -0.82 1.88 1.04 0.95 0.00 0.00 175.26 179.09 3d3a n GLN 144 N -0.56 0.96 -2.22 -4.83 6.02 -1.26 -4.86 117.38 110.63 3d3a n GLN 144 Ca -0.06 -0.28 -0.42 0.00 -0.01 0.00 0.00 57.00 56.23 3d3a n GLN 144 Cb 0.60 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.39 3d3a n GLN 144 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3d3a s ASP 145 N 2.13 6.83 0.26 1.08 -1.08 -1.26 -4.91 116.67 119.72 3d3a s ASP 145 Ca 0.19 2.03 -0.05 0.00 -0.52 0.00 0.00 52.55 54.19 3d3a s ASP 145 Cb 0.09 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.50 3d3a s ASP 145 CO 0.00 -0.78 1.62 1.55 0.52 0.00 0.00 175.17 178.08 3d3a h PRO 146 N 8.38 0.08 -0.26 4.34 0.13 -1.94 -1.89 132.00 140.84 3d3a h PRO 146 Ca -0.35 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 3d3a h PRO 146 Cb 1.16 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3d3a h PRO 146 CO 0.93 0.05 -0.14 -0.92 -0.23 0.00 0.00 178.00 177.70 3d3a h TYR 147 N 0.08 0.64 0.00 1.56 3.20 -1.97 -2.06 116.97 118.42 3d3a h TYR 147 Ca 0.45 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3d3a h TYR 147 Cb 0.82 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.94 3d3a h TYR 147 CO -0.46 0.81 0.00 0.98 -1.64 0.00 0.00 178.16 177.85 3d3a n TYR 148 N -4.45 0.00 0.00 -3.82 9.36 -0.71 -2.11 117.16 115.43 3d3a n TYR 148 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3d3a n TYR 148 Cb 0.36 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 3d3a n TYR 148 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 3d3a n GLU 150 N 0.42 0.00 0.08 2.98 4.07 -0.77 -1.27 120.64 126.15 3d3a n GLU 150 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 3d3a n GLU 150 Cb 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.48 3d3a n GLU 150 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3d3a h ARG 151 N 0.00 0.24 -0.44 5.31 2.47 -1.70 -2.42 114.38 117.84 3d3a h ARG 151 Ca 0.00 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.50 3d3a h ARG 151 Cb 0.00 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3d3a h ARG 151 CO 0.00 0.80 0.09 0.28 0.56 0.00 0.00 179.97 181.71 3d3a h VAL 152 N 0.17 1.24 -0.39 2.04 2.07 -1.46 -0.44 116.25 119.48 3d3a h VAL 152 Ca -0.01 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3d3a h VAL 152 Cb 1.17 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3d3a h VAL 152 CO 0.10 0.30 0.19 0.50 0.02 0.00 0.00 177.57 178.68 3d3a h LYS 153 N 0.59 0.56 -0.77 1.57 3.64 -1.80 0.49 116.57 120.85 3d3a h LYS 153 Ca 0.14 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3d3a h LYS 153 Cb 0.35 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3d3a h LYS 153 CO 0.00 0.49 0.28 -0.07 -2.27 0.00 0.00 179.45 177.88 3d3a h LEU 154 N 0.49 1.09 -0.12 5.20 3.38 -1.27 -0.35 115.31 123.74 3d3a h LEU 154 Ca 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3d3a h LEU 154 Cb 0.12 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3d3a h LEU 154 CO -0.02 0.99 -0.00 0.15 0.09 0.00 0.00 178.44 179.65 3d3a h PHE 155 N 1.14 0.23 -0.76 1.13 3.57 -0.80 -2.49 116.94 118.96 3d3a h PHE 155 Ca 0.25 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.74 3d3a h PHE 155 Cb 0.26 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 3d3a h PHE 155 CO 0.02 0.45 0.48 -0.07 -2.23 0.00 0.00 178.31 176.97 3d3a h LEU 156 N -0.06 0.80 -1.37 0.59 3.38 -0.72 -1.28 115.31 116.65 3d3a h LEU 156 Ca 0.03 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3d3a h LEU 156 Cb 0.36 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3d3a h LEU 156 CO 0.01 0.55 0.46 0.78 0.09 0.00 0.00 178.44 180.34 3d3a h ASN 157 N 0.95 0.69 -0.35 -0.43 2.35 -0.94 0.18 115.58 118.03 3d3a h ASN 157 Ca 0.30 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.90 3d3a h ASN 157 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3d3a h ASN 157 CO -0.11 0.47 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.48 3d3a h GLU 158 N 0.80 0.89 -0.60 0.81 4.39 -0.81 -1.54 114.58 118.51 3d3a h GLU 158 Ca 0.29 -0.43 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 3d3a h GLU 158 Cb 0.15 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3d3a h GLU 158 CO -0.09 1.08 0.08 0.28 -1.16 0.00 0.00 179.01 179.21 3d3a h VAL 159 N 0.74 1.25 -0.61 3.13 2.07 -0.20 -2.31 116.25 120.33 3d3a h VAL 159 Ca 0.07 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3d3a h VAL 159 Cb 0.90 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3d3a h VAL 159 CO 0.08 0.37 0.29 1.23 0.02 0.00 0.00 177.57 179.56 3d3a h GLY 160 N 1.02 0.94 2.00 2.17 0.00 -0.41 0.96 103.07 109.75 3d3a h GLY 160 Ca 0.18 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3d3a h GLY 160 CO 0.01 0.44 -0.08 0.50 0.00 0.00 0.00 176.54 177.42 3d3a h LYS 161 N 0.83 0.00 0.15 4.80 1.57 -0.92 0.02 116.57 123.02 3d3a h LYS 161 Ca 0.21 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.67 3d3a h LYS 161 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3d3a h LYS 161 CO -0.03 0.08 -1.57 1.96 -0.57 0.00 0.00 179.45 179.32 3d3a h GLN 162 N 0.00 0.32 0.00 3.15 1.08 -0.78 -3.43 115.11 115.45 3d3a h GLN 162 Ca -0.00 -0.55 0.00 0.00 -1.45 0.00 0.00 58.65 56.65 3d3a h GLN 162 Cb 0.15 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3d3a h GLN 162 CO 0.01 1.21 -0.33 1.28 -0.95 0.00 0.00 178.83 180.05 3d3a n LEU 163 N -3.52 0.02 -0.30 1.46 4.77 0.24 -4.71 117.00 114.97 3d3a n LEU 163 Ca -0.18 -0.35 0.04 0.00 -0.03 0.00 0.00 56.01 55.48 3d3a n LEU 163 Cb 1.06 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 42.33 3d3a n LEU 163 CO 0.52 0.01 1.15 0.00 -1.33 0.00 0.00 177.39 177.74 3d3a h ALA 164 N 0.08 1.22 0.00 -1.18 0.00 -1.18 0.96 119.26 119.17 3d3a h ALA 164 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d3a h ALA 164 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3d3a h ALA 164 CO 0.00 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 3d3a n ASP 165 N -4.73 0.00 -0.66 0.00 9.92 -1.26 -2.05 116.55 117.76 3d3a n ASP 165 Ca 0.14 -0.88 0.07 0.00 -0.53 0.00 0.00 54.79 53.59 3d3a n ASP 165 Cb 0.29 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.90 3d3a n ASP 165 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3d3a n LEU 166 N -0.78 2.70 -4.72 0.64 4.77 0.33 -4.53 117.00 115.41 3d3a n LEU 166 Ca 0.08 -1.60 -0.35 0.00 -0.03 0.00 0.00 56.01 54.11 3d3a n LEU 166 Cb 0.04 -0.16 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 3d3a n LEU 166 CO 0.06 0.62 0.83 -1.10 -1.33 0.00 0.00 177.39 176.47 3d3a s GLN 167 N -1.04 2.23 0.46 3.23 -0.21 -0.87 -1.34 119.66 122.12 3d3a s GLN 167 Ca 0.23 1.86 0.15 0.00 0.02 0.00 0.00 55.36 57.62 3d3a s GLN 167 Cb 0.13 -1.83 1.06 0.00 1.00 0.00 0.00 33.01 33.37 3d3a s GLN 167 CO 0.18 -1.79 2.03 0.97 -2.12 0.00 0.00 175.29 174.56 3d3a h ILE 168 N -0.07 1.10 0.00 1.08 2.10 -0.67 0.33 117.51 121.38 3d3a h ILE 168 Ca -0.49 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.00 3d3a h ILE 168 Cb 1.31 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 38.27 3d3a h ILE 168 CO 0.50 0.13 0.00 -1.54 -1.08 0.00 0.00 178.15 176.17 3d3a n SER 169 N -4.38 0.00 -0.84 2.19 3.41 -1.19 -1.64 113.62 111.17 3d3a n SER 169 Ca -0.02 -0.44 0.05 0.00 -0.26 0.00 0.00 58.87 58.19 3d3a n SER 169 Cb 0.20 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.24 3d3a n SER 169 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d3a n LYS 170 N -0.96 0.62 -0.82 4.33 5.02 -0.07 -4.39 118.16 121.89 3d3a n LYS 170 Ca 0.09 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 3d3a n LYS 170 Cb 0.04 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 3d3a n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d3a n GLY 171 N -0.33 0.78 0.00 0.72 0.00 -0.86 -4.71 105.19 100.79 3d3a n GLY 171 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3d3a n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d3a n GLY 172 N -2.34 0.78 0.34 -0.02 0.00 -0.18 -4.97 105.19 98.81 3d3a n GLY 172 Ca 0.00 -1.92 0.04 0.00 0.00 0.00 0.00 46.02 44.14 3d3a n GLY 172 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d3a n ASN 173 N -1.65 1.81 -4.66 1.61 6.94 -0.45 -3.96 115.26 114.90 3d3a n ASN 173 Ca 0.00 -1.43 -0.43 0.00 -0.02 0.00 0.00 54.58 52.70 3d3a n ASN 173 Cb 0.00 -0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 3d3a n ASN 173 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3d3a s ILE 174 N -0.71 4.67 -2.41 1.53 1.01 -0.55 -0.90 121.20 123.84 3d3a s ILE 174 Ca 0.10 2.00 0.21 0.00 0.00 0.00 0.00 60.65 62.97 3d3a s ILE 174 Cb 0.07 -4.31 0.31 0.00 0.01 0.00 0.00 42.46 38.53 3d3a s ILE 174 CO 0.10 -0.20 1.28 2.30 0.00 0.00 0.00 174.94 178.42 3d3a n ILE 175 N 5.36 0.32 -3.63 2.92 -5.35 0.00 -0.15 119.36 118.83 3d3a n ILE 175 Ca 0.12 -0.66 -0.12 0.00 -0.27 0.00 0.00 62.75 61.82 3d3a n ILE 175 Cb 0.46 1.15 -0.07 0.00 -1.74 0.00 0.00 39.64 39.44 3d3a n ILE 175 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3d3a s VAL 177 N -1.54 0.00 0.27 7.28 1.01 -0.96 -4.07 120.40 122.39 3d3a s VAL 177 Ca 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 3d3a s VAL 177 Cb 0.20 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.50 3d3a s VAL 177 CO 0.28 0.00 0.63 -1.58 0.00 0.00 0.00 175.10 174.43 3d3a s GLN 178 N 0.73 3.88 -0.34 2.72 0.74 0.69 -1.77 119.66 126.31 3d3a s GLN 178 Ca -0.03 0.43 -0.05 0.00 0.05 0.00 0.00 55.36 55.76 3d3a s GLN 178 Cb -0.05 -2.56 0.05 0.00 1.10 0.00 0.00 33.01 31.55 3d3a s GLN 178 CO -0.05 0.25 0.10 0.08 -0.55 0.00 0.00 175.29 175.11 3d3a s VAL 179 N -1.90 3.58 0.00 1.34 1.01 -0.37 -4.47 120.40 119.59 3d3a s VAL 179 Ca 0.50 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3d3a s VAL 179 Cb -0.11 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3d3a s VAL 179 CO 0.20 -0.22 0.00 -0.62 0.00 0.00 0.00 175.10 174.46 3d3a n GLU 180 N 4.76 0.00 -3.34 2.72 -0.58 -1.24 -4.72 120.64 118.23 3d3a n GLU 180 Ca -0.12 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.55 3d3a n GLU 180 Cb 0.44 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.24 3d3a n GLU 180 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3d3a s ASN 181 N -4.00 -0.04 -1.52 1.62 2.47 -1.26 -4.86 114.94 107.36 3d3a s ASN 181 Ca 0.00 0.38 -0.05 0.00 0.42 0.00 0.00 52.86 53.62 3d3a s ASN 181 Cb 0.00 1.29 0.04 0.00 -1.45 0.00 0.00 41.25 41.13 3d3a s ASN 181 CO 0.00 -0.29 0.42 -0.62 -3.72 0.00 0.00 177.10 172.89 3d3a n GLU 182 N 5.38 -2.73 0.30 0.43 1.02 -1.08 -4.83 120.64 119.13 3d3a n GLU 182 Ca -0.04 0.33 0.15 0.00 -0.02 0.00 0.00 57.16 57.59 3d3a n GLU 182 Cb 0.50 -4.47 0.92 0.00 -0.02 0.00 0.00 31.44 28.37 3d3a n GLU 182 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3d3a h TYR 183 N -1.73 0.00 -0.06 -0.32 3.20 -1.93 -1.98 116.97 114.15 3d3a h TYR 183 Ca -0.63 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.26 3d3a h TYR 183 Cb 1.38 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 3d3a h TYR 183 CO 0.53 0.01 0.07 0.78 -1.64 0.00 0.00 178.16 177.91 3d3a h GLY 184 N 0.11 0.00 -1.58 1.82 0.00 -1.85 0.15 103.07 101.71 3d3a h GLY 184 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d3a h GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3d3a n ALA 185 N -2.32 2.43 0.00 3.60 0.00 -0.74 -4.19 120.51 119.29 3d3a n ALA 185 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3d3a n ALA 185 Cb 0.16 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3d3a n ALA 185 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d3a n PHE 186 N 0.76 0.00 -2.67 0.00 7.35 0.37 -4.77 117.46 118.51 3d3a n PHE 186 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 3d3a n PHE 186 Cb 0.36 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.21 3d3a n PHE 186 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3d3a n GLY 187 N 3.12 1.00 2.67 7.13 0.00 -0.38 -5.02 105.19 113.70 3d3a n GLY 187 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 3d3a n GLY 187 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d3a s ILE 188 N -1.85 0.33 -0.49 -0.61 1.01 -1.26 -4.34 121.20 113.99 3d3a s ILE 188 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 60.12 3d3a s ILE 188 Cb 0.00 -0.99 0.18 0.00 0.01 0.00 0.00 42.46 41.67 3d3a s ILE 188 CO 0.00 -0.36 0.64 -0.62 0.00 0.00 0.00 174.94 174.60 3d3a s ASP 189 N 1.93 -0.84 0.37 3.58 3.68 -1.26 -5.02 116.67 119.11 3d3a s ASP 189 Ca 0.03 -1.91 0.05 0.00 2.13 0.00 0.00 52.55 52.85 3d3a s ASP 189 Cb -0.17 1.43 0.71 0.00 -1.45 0.00 0.00 42.92 43.44 3d3a s ASP 189 CO -0.15 -0.09 1.96 0.11 0.13 0.00 0.00 175.17 177.14 3d3a h LYS 190 N 5.34 0.58 -0.82 4.34 1.57 -1.90 -2.52 116.57 123.16 3d3a h LYS 190 Ca 0.10 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3d3a h LYS 190 Cb 1.08 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 3d3a h LYS 190 CO 0.09 0.48 0.49 -1.35 -0.57 0.00 0.00 179.45 178.58 3d3a h PRO 191 N 0.57 1.11 0.20 3.15 0.11 -1.98 0.10 132.00 135.26 3d3a h PRO 191 Ca 0.14 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3d3a h PRO 191 Cb 0.12 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.00 3d3a h PRO 191 CO -0.01 0.78 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.54 3d3a h TYR 192 N 1.12 -0.25 -1.01 0.65 3.20 -1.89 -1.15 116.97 117.65 3d3a h TYR 192 Ca 0.29 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.23 3d3a h TYR 192 Cb -0.04 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 3d3a h TYR 192 CO 0.00 0.00 0.65 0.82 -1.64 0.00 0.00 178.16 177.99 3d3a h ILE 193 N -0.47 1.05 -0.81 1.81 1.08 -1.18 0.13 117.51 119.12 3d3a h ILE 193 Ca -0.03 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 64.01 3d3a h ILE 193 Cb 0.36 -0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 33.88 3d3a h ILE 193 CO 0.04 0.21 0.33 0.28 -0.69 0.00 0.00 178.15 178.33 3d3a h SER 194 N 1.14 1.10 -0.29 1.72 0.02 -0.58 0.33 113.55 116.99 3d3a h SER 194 Ca 0.45 -0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 61.06 3d3a h SER 194 Cb 0.23 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3d3a h SER 194 CO -0.19 0.97 -0.49 -0.08 -1.14 0.00 0.00 176.83 175.90 3d3a h GLU 195 N 1.17 0.87 -0.62 3.45 4.81 -0.20 -1.25 114.58 122.81 3d3a h GLU 195 Ca 0.27 -0.51 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 3d3a h GLU 195 Cb 0.20 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3d3a h GLU 195 CO -0.02 1.15 0.40 0.82 -0.73 0.00 0.00 179.01 180.63 3d3a h ILE 196 N 0.68 1.14 -0.52 2.32 1.08 -0.59 -2.07 117.51 119.54 3d3a h ILE 196 Ca 0.03 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3d3a h ILE 196 Cb 1.08 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 3d3a h ILE 196 CO 0.11 0.15 0.34 -0.09 -0.69 0.00 0.00 178.15 177.97 3d3a h ARG 197 N 0.82 0.70 -1.53 2.37 1.12 -0.76 -1.57 114.38 115.52 3d3a h ARG 197 Ca 0.23 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 3d3a h ARG 197 Cb -0.06 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 29.74 3d3a h ARG 197 CO -0.06 0.47 0.00 -0.25 -3.11 0.00 0.00 179.97 177.02 3d3a n ASP 198 N -4.71 0.24 0.00 -3.80 8.00 -0.49 -1.59 116.55 114.20 3d3a n ASP 198 Ca 0.03 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.34 3d3a n ASP 198 Cb 0.03 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 3d3a n ASP 198 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3d3a n VAL 200 N 0.85 0.00 -0.11 2.53 0.31 -0.59 -0.13 118.33 121.19 3d3a n VAL 200 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3d3a n VAL 200 Cb 0.04 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.95 3d3a n VAL 200 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3d3a h LYS 201 N 0.00 0.51 0.00 5.55 1.57 -1.50 -2.37 116.57 120.33 3d3a h LYS 201 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3d3a h LYS 201 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3d3a h LYS 201 CO 0.00 0.58 0.00 1.96 -0.57 0.00 0.00 179.45 181.42 3d3a h GLN 202 N 0.35 0.00 0.00 3.15 4.20 -0.80 -1.79 115.11 120.22 3d3a h GLN 202 Ca 0.10 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 3d3a h GLN 202 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3d3a h GLN 202 CO 0.00 0.00 -0.40 0.00 -0.67 0.00 0.00 178.83 177.76 3d3a h ALA 203 N 2.07 0.94 0.00 3.87 0.00 -1.67 -3.47 119.26 121.00 3d3a h ALA 203 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3d3a h ALA 203 Cb 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3d3a h ALA 203 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3d3a n GLY 204 N 0.38 0.49 3.09 0.00 0.00 -0.68 -4.48 105.19 104.00 3d3a n GLY 204 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3d3a n GLY 204 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d3a n PHE 205 N 0.00 3.79 0.29 1.61 3.72 -1.08 -4.58 117.46 121.22 3d3a n PHE 205 Ca 0.00 -2.99 0.03 0.00 -0.05 0.00 0.00 57.45 54.44 3d3a n PHE 205 Cb 0.00 -2.17 0.00 0.00 -0.94 0.00 0.00 39.48 36.37 3d3a n PHE 205 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3d3a n THR 206 N 4.26 0.00 1.12 4.37 -2.24 -1.26 -4.39 114.28 116.13 3d3a n THR 206 Ca 0.42 -0.44 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 3d3a n THR 206 Cb 0.39 1.09 0.21 0.00 -2.10 0.00 0.00 70.33 69.92 3d3a n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d3a n GLY 207 N 0.70 -0.55 3.24 3.38 0.00 -1.26 -4.95 105.19 105.76 3d3a n GLY 207 Ca 0.03 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 3d3a n GLY 207 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d3a s VAL 208 N -2.61 1.16 0.46 1.61 -7.23 -1.26 -4.61 120.40 107.93 3d3a s VAL 208 Ca 0.19 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.16 3d3a s VAL 208 Cb 0.18 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.31 3d3a s VAL 208 CO 0.59 -0.68 1.36 -2.16 -0.31 0.00 0.00 175.10 173.90 3d3a s PRO 209 N -3.48 3.62 -0.03 4.82 0.04 -1.26 -4.80 135.00 133.91 3d3a s PRO 209 Ca 0.14 2.25 -0.01 0.00 0.04 0.00 0.00 61.00 63.42 3d3a s PRO 209 Cb 0.01 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 3d3a s PRO 209 CO 0.01 -0.81 0.06 -0.51 0.04 0.00 0.00 177.00 175.79 3d3a s LEU 210 N -2.88 3.82 0.08 -3.56 1.43 -1.26 -2.27 118.68 114.04 3d3a s LEU 210 Ca 0.63 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 3d3a s LEU 210 Cb -0.40 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 3d3a s LEU 210 CO 0.50 0.31 -0.01 0.72 0.23 0.00 0.00 176.35 178.11 3d3a s PHE 211 N -1.09 0.67 0.20 0.29 -0.12 -0.73 -2.85 117.98 114.34 3d3a s PHE 211 Ca 0.19 -1.11 0.10 0.00 -0.05 0.00 0.00 56.93 56.07 3d3a s PHE 211 Cb -0.12 -0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 41.79 3d3a s PHE 211 CO 0.10 -0.40 -0.15 -0.65 -0.05 0.00 0.00 175.22 174.07 3d3a s GLN 212 N -3.95 1.85 -0.01 1.99 -0.21 0.82 -1.24 119.66 118.90 3d3a s GLN 212 Ca 0.13 -1.42 0.01 0.00 0.02 0.00 0.00 55.36 54.10 3d3a s GLN 212 Cb 0.08 -2.01 0.01 0.00 1.00 0.00 0.00 33.01 32.09 3d3a s GLN 212 CO -0.06 0.41 -0.02 0.00 -2.12 0.00 0.00 175.29 173.50 3d3a n ASP 214 N 3.50 0.00 -4.93 0.00 8.00 -0.76 -2.63 116.55 119.74 3d3a n ASP 214 Ca -0.19 -0.96 -0.28 0.00 0.71 0.00 0.00 54.79 54.08 3d3a n ASP 214 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 3d3a n ASP 214 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3d3a s TRP 215 N -8.02 3.49 0.54 1.24 0.51 -1.26 -1.47 118.94 113.96 3d3a s TRP 215 Ca 0.00 0.32 0.28 0.00 -2.12 0.00 0.00 56.10 54.58 3d3a s TRP 215 Cb 0.00 -1.83 1.44 0.00 -0.81 0.00 0.00 33.47 32.27 3d3a s TRP 215 CO 0.00 0.42 1.95 -2.95 -0.51 0.00 0.00 176.95 175.86 3d3a h ASN 216 N 2.17 0.00 -0.14 2.95 7.08 -1.82 0.64 115.58 126.46 3d3a h ASN 216 Ca -0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.74 3d3a h ASN 216 Cb 1.19 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 3d3a h ASN 216 CO 0.69 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 174.50 3d3a n SER 217 N -4.28 1.64 0.00 6.14 3.41 -1.26 -4.45 113.62 114.83 3d3a n SER 217 Ca 0.13 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 3d3a n SER 217 Cb 0.75 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3d3a n SER 217 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3d3a n ASN 218 N 0.30 0.00 0.29 4.04 0.23 -0.24 -4.93 115.26 114.95 3d3a n ASN 218 Ca 0.17 -0.83 0.16 0.00 -0.53 0.00 0.00 54.58 53.55 3d3a n ASN 218 Cb 0.34 0.00 0.94 0.00 -2.08 0.00 0.00 39.78 38.97 3d3a n ASN 218 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 3d3a h PHE 219 N 0.00 0.00 0.00 -2.53 -5.15 -1.17 -1.78 116.94 106.32 3d3a h PHE 219 Ca 0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 3d3a h PHE 219 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.58 3d3a h PHE 219 CO 0.00 0.00 -0.08 0.93 -2.00 0.00 0.00 178.31 177.16 3d3a h GLU 220 N 0.00 0.00 -0.38 6.09 5.08 -1.89 -2.80 114.58 120.68 3d3a h GLU 220 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3d3a h GLU 220 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3d3a h GLU 220 CO -0.00 0.08 0.11 -0.91 -1.00 0.00 0.00 179.01 177.29 3d3a h ASN 221 N 0.00 0.50 0.00 1.42 -0.26 -1.71 -3.28 115.58 112.24 3d3a h ASN 221 Ca -0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 3d3a h ASN 221 Cb 0.76 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 3d3a h ASN 221 CO 0.01 0.49 0.00 0.59 -1.06 0.00 0.00 177.43 177.46 3d3a n ASN 222 N -4.35 1.03 -4.68 5.81 4.13 -1.24 -4.73 115.26 111.23 3d3a n ASN 222 Ca 0.02 -1.36 -0.46 0.00 1.68 0.00 0.00 54.58 54.46 3d3a n ASN 222 Cb 0.17 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.37 3d3a n ASN 222 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d3a n ALA 223 N -0.18 1.19 -2.70 5.41 0.00 -1.06 -4.88 120.51 118.29 3d3a n ALA 223 Ca 0.00 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.35 3d3a n ALA 223 Cb 0.22 -2.54 -0.06 0.00 0.00 0.00 0.00 19.45 17.07 3d3a n ALA 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d3a s LEU 224 N 3.76 4.42 0.35 0.00 1.43 -1.26 -5.01 118.68 122.37 3d3a s LEU 224 Ca 0.90 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 54.72 3d3a s LEU 224 Cb -0.62 -2.31 0.65 0.00 0.03 0.00 0.00 46.19 43.94 3d3a s LEU 224 CO 0.47 0.35 1.96 0.44 0.23 0.00 0.00 176.35 179.80 3d3a h ASP 225 N 4.99 0.61 -0.10 2.29 3.45 -2.01 -2.68 116.42 122.97 3d3a h ASP 225 Ca -0.53 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 56.88 3d3a h ASP 225 Cb 1.22 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 3d3a h ASP 225 CO 0.61 0.53 0.00 -0.90 -1.57 0.00 0.00 179.24 177.90 3d3a n ASP 226 N -4.38 0.54 -4.31 6.45 5.75 -1.26 -4.86 116.55 114.48 3d3a n ASP 226 Ca 0.04 -1.99 -0.21 0.00 -0.01 0.00 0.00 54.79 52.62 3d3a n ASP 226 Cb 0.12 -0.07 -0.11 0.00 -1.03 0.00 0.00 41.12 40.04 3d3a n ASP 226 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3d3a s LEU 227 N -1.01 2.43 0.28 -2.12 1.43 -1.01 -4.94 118.68 113.75 3d3a s LEU 227 Ca 0.07 -0.85 -0.29 0.00 -1.03 0.00 0.00 54.13 52.03 3d3a s LEU 227 Cb 0.04 -0.74 -0.09 0.00 0.03 0.00 0.00 46.19 45.42 3d3a s LEU 227 CO 0.05 -0.07 1.07 -0.22 0.23 0.00 0.00 176.35 177.41 3d3a s LEU 228 N -2.63 4.53 -0.08 1.79 2.96 -1.13 -4.82 118.68 119.30 3d3a s LEU 228 Ca 0.14 2.21 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 3d3a s LEU 228 Cb -0.05 -3.67 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 3d3a s LEU 228 CO 0.05 -0.13 -0.09 0.26 -1.32 0.00 0.00 176.35 175.12 3d3a s TRP 229 N -1.20 2.87 0.18 5.38 0.51 -1.26 -0.13 118.94 125.28 3d3a s TRP 229 Ca 0.45 -0.18 0.02 0.00 -2.12 0.00 0.00 56.10 54.27 3d3a s TRP 229 Cb -0.30 -1.74 -0.05 0.00 -0.81 0.00 0.00 33.47 30.57 3d3a s TRP 229 CO 0.39 0.16 -0.00 0.95 -0.51 0.00 0.00 176.95 177.93 3d3a s THR 230 N -0.44 0.72 0.06 2.01 -4.23 -0.09 -4.94 115.64 108.74 3d3a s THR 230 Ca 0.06 -1.99 0.09 0.00 -1.18 0.00 0.00 61.69 58.67 3d3a s THR 230 Cb -0.12 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 3d3a s THR 230 CO 0.02 -0.46 -0.25 -0.63 -0.54 0.00 0.00 174.62 172.76 3d3a s ILE 231 N -3.63 2.03 0.01 2.99 -1.09 -1.26 -1.82 121.20 118.43 3d3a s ILE 231 Ca 0.24 -1.41 0.06 0.00 -2.23 0.00 0.00 60.65 57.31 3d3a s ILE 231 Cb 0.06 -1.76 -0.03 0.00 -1.58 0.00 0.00 42.46 39.15 3d3a s ILE 231 CO 0.04 0.26 -0.18 0.20 -1.23 0.00 0.00 174.94 174.04 3d3a s ASN 232 N -1.39 3.77 0.02 3.58 0.01 -0.54 -0.98 114.94 119.41 3d3a s ASN 232 Ca 0.11 -0.36 -0.29 0.00 -0.71 0.00 0.00 52.86 51.61 3d3a s ASN 232 Cb -0.10 -0.65 0.10 0.00 0.41 0.00 0.00 41.25 41.02 3d3a s ASN 232 CO 0.03 0.29 1.06 0.72 -1.51 0.00 0.00 177.10 177.69 3d3a s PHE 233 N -0.83 -0.17 0.41 2.20 -0.12 -0.93 -4.63 117.98 113.93 3d3a s PHE 233 Ca 0.13 -0.01 0.07 0.00 -0.05 0.00 0.00 56.93 57.08 3d3a s PHE 233 Cb -0.10 0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 42.80 3d3a s PHE 233 CO 0.03 -0.52 0.14 0.20 -0.05 0.00 0.00 175.22 175.02 3d3a s GLY 234 N -2.71 2.38 0.18 1.99 0.00 -1.26 -1.35 107.32 106.56 3d3a s GLY 234 Ca 0.10 -2.13 -0.30 0.00 0.00 0.00 0.00 44.72 42.39 3d3a s GLY 234 CO -0.03 -1.96 0.68 -1.30 0.00 0.00 0.00 173.10 170.49 3d3a n THR 235 N -1.18 1.69 -0.25 0.90 -2.24 -0.60 -1.65 114.28 110.94 3d3a n THR 235 Ca -0.02 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3d3a n THR 235 Cb 0.65 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3d3a n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d3a n GLY 236 N 1.85 0.75 3.83 3.38 0.00 -1.26 -5.06 105.19 108.68 3d3a n GLY 236 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3d3a n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3a s ALA 237 N -2.59 2.41 -0.44 4.61 0.00 -0.66 -5.02 121.76 120.07 3d3a s ALA 237 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 3d3a s ALA 237 Cb 0.00 -3.06 0.09 0.00 0.00 0.00 0.00 23.12 20.15 3d3a s ALA 237 CO 0.00 -1.63 0.30 1.21 0.00 0.00 0.00 175.76 175.65 3d3a s ASN 238 N -4.11 5.73 0.22 0.00 3.84 -1.26 -4.99 114.94 114.38 3d3a s ASN 238 Ca 0.60 -1.59 -0.19 0.00 0.21 0.00 0.00 52.86 51.89 3d3a s ASN 238 Cb -0.13 -2.02 0.20 0.00 -0.55 0.00 0.00 41.25 38.74 3d3a s ASN 238 CO 0.53 -0.60 1.55 0.40 -2.79 0.00 0.00 177.10 176.19 3d3a h ILE 239 N 6.05 0.02 -0.68 -5.21 1.08 -1.98 0.20 117.51 116.98 3d3a h ILE 239 Ca -0.23 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 3d3a h ILE 239 Cb 1.08 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 3d3a h ILE 239 CO 0.81 0.00 0.39 0.44 -0.69 0.00 0.00 178.15 179.09 3d3a h ASP 240 N -0.02 0.83 0.52 1.72 5.19 -1.98 -1.73 116.42 120.94 3d3a h ASP 240 Ca 0.32 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.60 3d3a h ASP 240 Cb 0.58 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 3d3a h ASP 240 CO -0.95 0.67 -0.24 -0.08 -3.12 0.00 0.00 179.24 175.52 3d3a h GLU 241 N 0.92 0.00 0.03 3.56 4.81 -1.43 0.13 114.58 122.61 3d3a h GLU 241 Ca 0.24 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.19 3d3a h GLU 241 Cb 0.01 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.41 3d3a h GLU 241 CO -0.04 0.24 -1.10 1.96 -0.73 0.00 0.00 179.01 179.34 3d3a h GLN 242 N 0.00 0.68 -0.01 1.92 1.08 0.14 -3.36 115.11 115.57 3d3a h GLN 242 Ca -0.00 -0.78 0.00 0.00 -1.45 0.00 0.00 58.65 56.42 3d3a h GLN 242 Cb 0.56 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 3d3a h GLN 242 CO 0.03 1.34 -0.67 1.19 -0.95 0.00 0.00 178.83 179.78 3d3a n PHE 243 N -3.84 0.00 -0.26 2.96 3.72 -0.76 -4.64 117.46 114.63 3d3a n PHE 243 Ca -0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3d3a n PHE 243 Cb 0.91 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.52 3d3a n PHE 243 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3d3a h LYS 244 N 0.87 -0.04 -0.29 -1.08 3.64 -0.88 -0.85 116.57 117.94 3d3a h LYS 244 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3d3a h LYS 244 Cb 0.52 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3d3a h LYS 244 CO 0.00 -0.03 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.03 3d3a h ARG 245 N -0.04 0.53 -0.72 1.90 9.65 -1.84 -3.04 114.38 120.82 3d3a h ARG 245 Ca 0.33 -0.19 0.07 0.00 -1.10 0.00 0.00 59.98 59.10 3d3a h ARG 245 Cb 0.57 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.05 3d3a h ARG 245 CO -0.79 0.71 0.40 1.25 2.80 0.00 0.00 179.97 184.33 3d3a h LEU 246 N 0.30 0.58 -1.29 3.80 5.85 -1.57 -0.93 115.31 122.05 3d3a h LEU 246 Ca 0.08 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3d3a h LEU 246 Cb 0.49 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3d3a h LEU 246 CO 0.02 0.36 0.29 0.11 -0.34 0.00 0.00 178.44 178.88 3d3a h LYS 247 N 0.71 0.78 0.89 1.25 1.57 -1.18 0.33 116.57 120.91 3d3a h LYS 247 Ca 0.33 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3d3a h LYS 247 Cb 0.25 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.41 3d3a h LYS 247 CO -0.21 0.59 -0.43 0.93 -0.57 0.00 0.00 179.45 179.76 3d3a h GLU 248 N 0.79 -1.15 -0.98 3.15 5.08 -1.08 -1.79 114.58 118.60 3d3a h GLU 248 Ca 0.20 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.68 3d3a h GLU 248 Cb 0.05 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 3d3a h GLU 248 CO -0.03 -0.77 0.64 -0.07 -1.00 0.00 0.00 179.01 177.78 3d3a h LEU 249 N -1.27 1.06 -6.95 1.33 -0.00 -1.22 -3.36 115.31 104.89 3d3a h LEU 249 Ca -0.12 -0.01 -0.59 0.00 -0.00 0.00 0.00 57.88 57.16 3d3a h LEU 249 Cb 0.92 -0.24 -0.40 0.00 -0.00 0.00 0.00 40.66 40.95 3d3a h LEU 249 CO 0.20 0.72 -0.77 -0.13 -0.00 0.00 0.00 178.44 178.46 3d3a s ARG 250 N -6.08 0.85 0.41 1.13 0.52 0.09 -4.99 118.95 110.89 3d3a s ARG 250 Ca -0.13 -1.43 0.19 0.00 -0.52 0.00 0.00 55.73 53.84 3d3a s ARG 250 Cb 0.19 -1.92 0.87 0.00 0.52 0.00 0.00 34.95 34.61 3d3a s ARG 250 CO 0.81 -1.10 1.83 -1.35 0.02 0.00 0.00 175.30 175.51 3d3a h PRO 251 N 7.38 0.00 -0.33 3.54 0.11 -1.49 -3.17 132.00 138.05 3d3a h PRO 251 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3d3a h PRO 251 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3d3a h PRO 251 CO 0.43 0.31 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 3d3a n ASP 252 N -3.68 3.35 -4.75 -2.05 8.00 -1.26 -4.80 116.55 111.35 3d3a n ASP 252 Ca -0.01 -1.99 -0.40 0.00 0.71 0.00 0.00 54.79 53.10 3d3a n ASP 252 Cb 0.42 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 3d3a n ASP 252 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3d3a s THR 253 N -1.59 4.31 0.63 -3.53 -1.32 -1.20 0.55 115.64 113.50 3d3a s THR 253 Ca 0.37 1.93 -0.17 0.00 -1.21 0.00 0.00 61.69 62.61 3d3a s THR 253 Cb 0.22 -4.25 -0.01 0.00 -1.51 0.00 0.00 72.50 66.95 3d3a s THR 253 CO 0.31 0.46 1.14 -2.16 -2.21 0.00 0.00 174.62 172.16 3d3a s PRO 254 N -0.82 2.88 0.50 7.08 0.04 -1.26 -4.46 135.00 138.96 3d3a s PRO 254 Ca 0.40 1.56 0.08 0.00 0.04 0.00 0.00 61.00 63.09 3d3a s PRO 254 Cb -0.24 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.39 3d3a s PRO 254 CO 0.29 -1.22 0.61 -0.51 0.04 0.00 0.00 177.00 176.21 3d3a s LEU 255 N -4.52 3.27 -0.33 -3.56 1.43 -1.26 -4.95 118.68 108.77 3d3a s LEU 255 Ca 0.71 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3d3a s LEU 255 Cb -0.24 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.13 3d3a s LEU 255 CO 0.37 -1.03 0.16 0.00 0.23 0.00 0.00 176.35 176.09 3d3a h SER 258 N 7.70 0.49 -2.87 0.00 0.87 -1.33 -2.95 113.55 115.45 3d3a h SER 258 Ca -0.08 0.13 -0.38 0.00 -1.23 0.00 0.00 61.79 60.23 3d3a h SER 258 Cb 0.99 0.07 -0.38 0.00 -0.44 0.00 0.00 62.40 62.63 3d3a h SER 258 CO 0.39 0.10 -0.69 -1.61 -0.53 0.00 0.00 176.83 174.49 3d3a s GLU 259 N -5.88 0.10 -0.57 2.24 2.02 -1.25 -4.01 118.70 111.33 3d3a s GLU 259 Ca -0.11 0.13 -0.17 0.00 0.02 0.00 0.00 54.97 54.84 3d3a s GLU 259 Cb 0.25 -1.32 0.12 0.00 0.10 0.00 0.00 34.13 33.28 3d3a s GLU 259 CO 0.78 -0.60 0.60 0.12 0.02 0.00 0.00 175.26 176.19 3d3a s PHE 260 N 2.23 3.15 -0.27 1.61 5.36 -0.16 -2.18 117.98 127.72 3d3a s PHE 260 Ca 0.04 -1.17 -0.29 0.00 -0.96 0.00 0.00 56.93 54.56 3d3a s PHE 260 Cb -0.15 -3.90 -0.01 0.00 -0.34 0.00 0.00 43.02 38.62 3d3a s PHE 260 CO -0.09 -1.15 1.42 -1.58 -1.46 0.00 0.00 175.22 172.36 3d3a s TRP 261 N 2.05 2.47 -0.04 10.12 0.51 -0.46 0.18 118.94 133.77 3d3a s TRP 261 Ca 0.07 0.75 -0.02 0.00 -2.12 0.00 0.00 56.10 54.78 3d3a s TRP 261 Cb -0.27 -3.93 0.03 0.00 -0.81 0.00 0.00 33.47 28.49 3d3a s TRP 261 CO 0.04 -2.18 0.10 0.45 -0.51 0.00 0.00 176.95 174.85 3d3a s SER 262 N 3.31 -0.06 0.00 2.95 0.15 -1.24 -1.55 113.70 117.26 3d3a s SER 262 Ca 0.62 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.46 3d3a s SER 262 Cb -0.20 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 3d3a s SER 262 CO 0.25 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.19 3d3a n GLY 263 N 3.90 0.50 3.46 9.45 0.00 -1.26 -4.84 105.19 116.39 3d3a n GLY 263 Ca -0.23 -2.26 -0.07 0.00 0.00 0.00 0.00 46.02 43.46 3d3a n GLY 263 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3d3a s TRP 264 N -0.25 -0.93 -0.10 1.61 -0.11 0.10 -4.82 118.94 114.44 3d3a s TRP 264 Ca 0.00 1.80 -0.03 0.00 1.22 0.00 0.00 56.10 59.10 3d3a s TRP 264 Cb 0.00 0.50 -0.03 0.00 -1.50 0.00 0.00 33.47 32.43 3d3a s TRP 264 CO 0.00 -0.49 0.01 -0.59 -4.62 0.00 0.00 176.95 171.26 3d3a s PHE 265 N 2.03 3.19 0.62 5.86 -0.71 -1.26 -3.80 117.98 123.90 3d3a s PHE 265 Ca -0.07 0.17 -0.09 0.00 -1.04 0.00 0.00 56.93 55.90 3d3a s PHE 265 Cb -0.09 -1.83 -0.00 0.00 -1.21 0.00 0.00 43.02 39.89 3d3a s PHE 265 CO -0.16 0.43 0.98 -0.51 -1.34 0.00 0.00 175.22 174.61 3d3a s ASP 266 N -0.71 5.73 0.05 1.98 1.01 -1.26 -4.99 116.67 118.47 3d3a s ASP 266 Ca 0.11 1.01 0.05 0.00 0.71 0.00 0.00 52.55 54.43 3d3a s ASP 266 Cb -0.12 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 41.81 3d3a s ASP 266 CO 0.02 -1.07 -0.14 -1.00 0.21 0.00 0.00 175.17 173.19 3d3a s HIS 267 N -3.12 1.25 0.28 4.23 3.76 -1.26 -1.42 115.29 119.00 3d3a s HIS 267 Ca 0.55 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.78 3d3a s HIS 267 Cb -0.11 -0.74 -0.11 0.00 1.11 0.00 0.00 32.58 32.74 3d3a s HIS 267 CO 0.49 0.04 1.55 -1.58 -0.85 0.00 0.00 174.74 174.40 3d3a s TRP 268 N -0.94 2.83 0.00 1.40 0.52 -0.32 -2.13 118.94 120.31 3d3a s TRP 268 Ca 0.01 0.84 0.00 0.00 0.02 0.00 0.00 56.10 56.97 3d3a s TRP 268 Cb -0.08 -4.00 0.00 0.00 -1.15 0.00 0.00 33.47 28.24 3d3a s TRP 268 CO 0.02 -3.35 0.00 0.41 0.02 0.00 0.00 176.95 174.04 3d3a n GLY 269 N 2.24 0.80 3.29 0.98 0.00 -0.38 -4.80 105.19 107.31 3d3a n GLY 269 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3d3a n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3a s ALA 270 N -3.11 2.06 0.22 4.61 0.00 -0.90 -4.59 121.76 120.05 3d3a s ALA 270 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 51.96 50.57 3d3a s ALA 270 Cb 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 23.12 22.47 3d3a s ALA 270 CO 0.00 0.50 1.46 1.17 0.00 0.00 0.00 175.76 178.90 3d3a n LYS 271 N 2.41 2.11 -2.10 0.00 4.81 -1.26 -4.30 118.16 119.83 3d3a n LYS 271 Ca -0.16 0.75 -0.38 0.00 -0.87 0.00 0.00 58.31 57.65 3d3a n LYS 271 Cb 0.52 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.12 3d3a n LYS 271 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 3d3a s HIS 272 N 0.18 2.76 0.14 5.64 5.65 -1.26 -4.93 115.29 123.47 3d3a s HIS 272 Ca 0.70 1.47 -0.04 0.00 0.25 0.00 0.00 55.06 57.44 3d3a s HIS 272 Cb -0.65 -3.56 -0.03 0.00 -1.18 0.00 0.00 32.58 27.17 3d3a s HIS 272 CO 0.47 -1.94 0.13 -1.21 -0.65 0.00 0.00 174.74 171.54 3d3a s GLU 273 N -2.55 0.99 0.09 2.88 2.02 -1.26 -5.07 118.70 115.81 3d3a s GLU 273 Ca 0.62 -1.33 -0.00 0.00 0.02 0.00 0.00 54.97 54.28 3d3a s GLU 273 Cb -0.34 0.29 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 3d3a s GLU 273 CO 0.42 -0.31 -0.00 0.95 0.02 0.00 0.00 175.26 176.34 3d3a s THR 274 N -4.01 0.27 -0.02 3.63 -4.23 -1.26 -4.77 115.64 105.25 3d3a s THR 274 Ca 0.21 -1.87 0.08 0.00 -1.18 0.00 0.00 61.69 58.92 3d3a s THR 274 Cb 0.06 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.11 3d3a s THR 274 CO 0.01 -0.75 -0.25 -0.13 -0.54 0.00 0.00 174.62 172.95 3d3a s ARG 275 N -3.95 2.00 0.34 3.99 1.81 -1.26 -4.99 118.95 116.89 3d3a s ARG 275 Ca 0.15 -0.89 -0.28 0.00 -1.72 0.00 0.00 55.73 52.99 3d3a s ARG 275 Cb 0.07 -1.94 -0.10 0.00 -0.45 0.00 0.00 34.95 32.53 3d3a s ARG 275 CO -0.04 0.53 1.28 0.45 -0.68 0.00 0.00 175.30 176.84 3d3a s SER 276 N -0.60 6.71 0.44 0.23 0.15 -1.26 -4.92 113.70 114.45 3d3a s SER 276 Ca 0.10 2.63 0.13 0.00 0.70 0.00 0.00 55.95 59.51 3d3a s SER 276 Cb -0.10 -2.64 0.98 0.00 -1.71 0.00 0.00 66.02 62.55 3d3a s SER 276 CO -0.01 -0.57 2.00 0.00 1.20 0.00 0.00 173.24 175.87 3d3a h ALA 277 N 3.25 1.70 0.06 5.45 0.00 -1.98 -3.21 119.26 124.53 3d3a h ALA 277 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3d3a h ALA 277 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3d3a h ALA 277 CO 0.65 0.22 -0.18 0.93 0.00 0.00 0.00 179.25 180.87 3d3a h GLU 278 N 0.11 -0.26 -0.92 0.00 5.08 -2.00 -0.32 114.58 116.27 3d3a h GLU 278 Ca 0.02 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.61 3d3a h GLU 278 Cb 0.25 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 3d3a h GLU 278 CO 0.01 -0.17 0.61 1.49 -1.00 0.00 0.00 179.01 179.95 3d3a h GLU 279 N -0.27 0.41 0.65 2.33 4.57 -1.97 -1.36 114.58 118.94 3d3a h GLU 279 Ca -0.01 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3d3a h GLU 279 Cb 0.27 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3d3a h GLU 279 CO -0.09 0.27 -0.31 1.25 -1.18 0.00 0.00 179.01 178.95 3d3a h LEU 280 N 0.42 -0.74 -0.97 1.64 5.85 -1.48 -1.68 115.31 118.36 3d3a h LEU 280 Ca 0.48 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.45 3d3a h LEU 280 Cb 1.19 0.19 -0.12 0.00 0.37 0.00 0.00 40.66 42.29 3d3a h LEU 280 CO -0.19 -0.36 0.55 0.58 -0.34 0.00 0.00 178.44 178.68 3d3a h VAL 281 N -1.21 0.57 0.03 1.05 2.07 -0.57 -0.39 116.25 117.79 3d3a h VAL 281 Ca -0.09 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3d3a h VAL 281 Cb 0.67 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3d3a h VAL 281 CO 0.15 0.11 -0.01 0.11 0.02 0.00 0.00 177.57 177.94 3d3a h LYS 282 N 0.58 -0.03 -1.16 1.57 1.57 -1.26 -1.00 116.57 116.84 3d3a h LYS 282 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 3d3a h LYS 282 Cb 1.09 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3d3a h LYS 282 CO -0.46 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.03 3d3a n GLY 283 N -0.47 0.00 1.04 3.86 0.00 -0.16 -1.75 105.19 107.72 3d3a n GLY 283 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3d3a n GLY 283 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d3a n LYS 285 N 0.75 0.00 0.00 1.61 4.81 -0.38 -4.73 118.16 120.23 3d3a n LYS 285 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3d3a n LYS 285 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3d3a n LYS 285 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3d3a n GLU 286 N 0.00 0.00 0.00 1.64 1.02 -0.71 0.39 120.64 122.98 3d3a n GLU 286 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3d3a n GLU 286 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3d3a n GLU 286 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3d3a n LEU 288 N 0.32 0.00 0.00 -4.62 4.77 -1.26 -3.00 117.00 113.21 3d3a n LEU 288 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3d3a n LEU 288 Cb 0.00 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.41 3d3a n LEU 288 CO 0.00 0.00 0.63 0.47 -1.33 0.00 0.00 177.39 177.16 3d3a n ASP 289 N 0.00 0.00 0.00 -1.43 8.00 0.16 -1.02 116.55 122.26 3d3a n ASP 289 Ca 0.00 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3d3a n ASP 289 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3d3a n ASP 289 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3d3a n ARG 290 N -1.20 2.21 -2.64 -1.24 1.74 -1.16 -4.97 116.66 109.39 3d3a n ARG 290 Ca 0.07 -1.26 -0.20 0.00 -0.77 0.00 0.00 57.85 55.68 3d3a n ARG 290 Cb 0.08 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 3d3a n ARG 290 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3d3a n ASN 291 N -0.39 -5.63 -4.68 0.55 3.02 -0.19 -4.94 115.26 103.00 3d3a n ASN 291 Ca 0.00 -0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 54.05 3d3a n ASN 291 Cb 0.25 -4.65 -0.04 0.00 -0.61 0.00 0.00 39.78 34.73 3d3a n ASN 291 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3d3a s ILE 292 N -3.03 4.93 0.56 2.41 1.01 -1.26 -4.89 121.20 120.94 3d3a s ILE 292 Ca 0.11 1.58 -0.18 0.00 0.00 0.00 0.00 60.65 62.16 3d3a s ILE 292 Cb -0.05 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3d3a s ILE 292 CO 0.14 0.10 1.11 -0.44 0.00 0.00 0.00 174.94 175.85 3d3a s SER 293 N 1.06 5.67 0.24 3.58 0.01 -0.87 -4.40 113.70 119.00 3d3a s SER 293 Ca 0.38 2.10 -0.21 0.00 1.31 0.00 0.00 55.95 59.53 3d3a s SER 293 Cb -0.17 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.52 3d3a s SER 293 CO 0.15 -1.25 0.67 0.72 0.41 0.00 0.00 173.24 173.94 3d3a s PHE 294 N -1.94 -0.25 -0.17 2.43 -0.71 -0.13 -0.16 117.98 117.06 3d3a s PHE 294 Ca 0.71 -0.13 -0.03 0.00 -1.04 0.00 0.00 56.93 56.43 3d3a s PHE 294 Cb -0.22 0.63 0.05 0.00 -1.21 0.00 0.00 43.02 42.28 3d3a s PHE 294 CO 0.29 -1.11 0.05 0.45 -1.34 0.00 0.00 175.22 173.56 3d3a s SER 295 N -2.88 2.52 -0.44 1.98 0.15 -1.11 -0.24 113.70 113.67 3d3a s SER 295 Ca 0.09 -0.64 -0.27 0.00 0.70 0.00 0.00 55.95 55.83 3d3a s SER 295 Cb -0.04 -0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 3d3a s SER 295 CO 0.01 -0.30 2.10 -0.22 1.20 0.00 0.00 173.24 176.03 3d3a s LEU 296 N 1.96 3.40 -0.26 3.45 2.96 -0.16 -0.99 118.68 129.04 3d3a s LEU 296 Ca 0.01 1.06 -0.05 0.00 -0.22 0.00 0.00 54.13 54.94 3d3a s LEU 296 Cb -0.16 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 3d3a s LEU 296 CO -0.08 -2.34 1.36 0.00 -1.32 0.00 0.00 176.35 173.97 3d3a n TYR 297 N 13.15 0.41 0.00 5.38 9.36 0.13 -2.75 117.16 142.84 3d3a n TYR 297 Ca 0.28 -0.91 0.00 0.00 3.32 0.00 0.00 57.90 60.59 3d3a n TYR 297 Cb 0.51 -0.92 0.00 0.00 -0.63 0.00 0.00 39.34 38.30 3d3a n TYR 297 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3d3a n THR 299 N 5.00 0.00 -3.52 2.97 -1.04 -1.20 -3.71 114.28 112.78 3d3a n THR 299 Ca 0.17 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.13 3d3a n THR 299 Cb 0.08 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.53 3d3a n THR 299 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3d3a s HIS 300 N -0.69 -1.06 -0.17 -1.42 5.65 -1.25 -1.25 115.29 115.10 3d3a s HIS 300 Ca 0.00 1.63 -0.26 0.00 0.25 0.00 0.00 55.06 56.68 3d3a s HIS 300 Cb 0.00 0.42 -0.23 0.00 -1.18 0.00 0.00 32.58 31.59 3d3a s HIS 300 CO 0.00 -0.63 0.52 0.78 -0.65 0.00 0.00 174.74 174.76 3d3a h GLY 301 N 8.11 0.00 0.00 1.59 0.00 -1.71 -3.42 103.07 107.64 3d3a h GLY 301 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3d3a h GLY 301 CO 0.16 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.31 3d3a n GLY 302 N 1.54 0.47 2.97 4.60 0.00 -1.17 -4.74 105.19 108.85 3d3a n GLY 302 Ca -0.19 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 3d3a n GLY 302 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d3a s THR 303 N 0.00 0.47 -1.29 2.61 2.01 -0.05 -1.38 115.64 118.01 3d3a s THR 303 Ca 0.00 -0.25 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 3d3a s THR 303 Cb 0.00 -0.40 0.10 0.00 0.01 0.00 0.00 72.50 72.21 3d3a s THR 303 CO 0.00 0.14 1.71 -1.20 -0.69 0.00 0.00 174.62 174.58 3d3a n SER 304 N 2.95 4.92 -4.63 3.53 7.64 0.92 -4.19 113.62 124.75 3d3a n SER 304 Ca -0.13 -2.94 -0.31 0.00 1.01 0.00 0.00 58.87 56.49 3d3a n SER 304 Cb 0.58 -1.67 0.16 0.00 -1.01 0.00 0.00 64.21 62.27 3d3a n SER 304 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3d3a n PHE 305 N 6.98 0.53 0.00 1.43 3.01 -1.26 -4.46 117.46 123.68 3d3a n PHE 305 Ca 0.45 0.38 0.00 0.00 1.01 0.00 0.00 57.45 59.29 3d3a n PHE 305 Cb 0.44 -1.97 0.00 0.00 -0.01 0.00 0.00 39.48 37.93 3d3a n PHE 305 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d3a n GLY 306 N 0.46 3.37 1.04 1.37 0.00 -0.39 -2.61 105.19 108.43 3d3a n GLY 306 Ca 0.11 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3d3a n GLY 306 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3d3a n HIS 307 N 14.00 0.94 0.78 1.61 1.44 -1.26 -3.49 115.22 129.24 3d3a n HIS 307 Ca 0.00 -0.64 0.13 0.00 -2.01 0.00 0.00 57.72 55.19 3d3a n HIS 307 Cb 0.00 -0.18 0.51 0.00 0.12 0.00 0.00 29.99 30.44 3d3a n HIS 307 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 3d3a n TRP 308 N 0.46 0.32 -1.81 -1.40 7.02 -1.07 -4.68 117.44 116.28 3d3a n TRP 308 Ca 0.19 0.10 -0.36 0.00 -1.02 0.00 0.00 57.50 56.41 3d3a n TRP 308 Cb 0.71 -0.66 0.06 0.00 -2.42 0.00 0.00 31.31 29.00 3d3a n TRP 308 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3d3a s GLY 309 N -3.20 2.77 0.00 6.99 0.00 -1.26 0.20 107.32 112.82 3d3a s GLY 309 Ca 0.11 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.94 3d3a s GLY 309 CO 0.50 1.52 0.00 0.61 0.00 0.00 0.00 173.10 175.73 3d3a n GLY 310 N 0.71 1.73 3.46 0.20 0.00 -0.10 -3.59 105.19 107.59 3d3a n GLY 310 Ca 0.15 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 3d3a n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3a s ALA 311 N -2.59 -1.59 0.59 4.61 0.00 -1.25 -2.23 121.76 119.30 3d3a s ALA 311 Ca 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 3d3a s ALA 311 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3d3a s ALA 311 CO 0.00 -0.45 1.04 1.21 0.00 0.00 0.00 175.76 177.56 3d3a s ASN 312 N -1.60 5.95 0.03 0.00 3.84 0.64 -2.31 114.94 121.50 3d3a s ASN 312 Ca -0.08 1.72 0.02 0.00 0.21 0.00 0.00 52.86 54.73 3d3a s ASN 312 Cb -0.01 -2.52 -0.02 0.00 -0.55 0.00 0.00 41.25 38.15 3d3a s ASN 312 CO 0.04 -1.05 -0.08 0.12 -2.79 0.00 0.00 177.10 173.34 3d3a s PHE 313 N -2.60 0.68 -0.31 0.43 5.36 -1.26 -3.36 117.98 116.92 3d3a s PHE 313 Ca 0.61 -0.39 0.20 0.00 -0.96 0.00 0.00 56.93 56.39 3d3a s PHE 313 Cb -0.14 -0.41 0.20 0.00 -0.34 0.00 0.00 43.02 42.33 3d3a s PHE 313 CO 0.39 -0.05 1.49 -1.00 -1.46 0.00 0.00 175.22 174.59 3d3a h PRO 314 N 4.89 0.00 -6.03 10.12 0.13 -1.98 -3.49 132.00 135.63 3d3a h PRO 314 Ca -0.34 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.20 3d3a h PRO 314 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 3d3a h PRO 314 CO 0.43 0.21 0.73 0.54 -0.23 0.00 0.00 178.00 179.68 3d3a s ASN 315 N -6.26 6.31 -0.30 1.44 4.22 -1.26 -4.95 114.94 114.15 3d3a s ASN 315 Ca 0.05 -0.36 -0.39 0.00 -2.14 0.00 0.00 52.86 50.03 3d3a s ASN 315 Cb 0.06 -2.48 -0.14 0.00 1.28 0.00 0.00 41.25 39.97 3d3a s ASN 315 CO 0.71 -1.41 1.89 0.33 -2.04 0.00 0.00 177.10 176.58 3d3a n PHE 316 N 8.00 1.93 -3.42 1.54 7.35 -1.24 -4.61 117.46 127.00 3d3a n PHE 316 Ca 0.03 0.44 -0.15 0.00 -0.76 0.00 0.00 57.45 57.01 3d3a n PHE 316 Cb 0.48 -2.48 -0.10 0.00 0.35 0.00 0.00 39.48 37.72 3d3a n PHE 316 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3d3a s SER 317 N 4.63 1.11 0.20 -2.13 0.15 -1.21 -4.55 113.70 111.90 3d3a s SER 317 Ca 1.02 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 57.11 3d3a s SER 317 Cb -1.02 0.65 -0.08 0.00 -1.71 0.00 0.00 66.02 63.86 3d3a s SER 317 CO 0.61 -0.34 1.24 -2.16 1.20 0.00 0.00 173.24 173.80 3d3a s PRO 318 N 2.41 4.45 0.59 5.44 0.04 -1.26 -0.26 135.00 146.40 3d3a s PRO 318 Ca 0.09 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 3d3a s PRO 318 Cb -0.15 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 3d3a s PRO 318 CO -0.20 -0.15 1.07 0.95 0.04 0.00 0.00 177.00 178.71 3d3a s THR 319 N -0.06 3.67 0.77 1.26 -4.23 -0.95 -1.17 115.64 114.93 3d3a s THR 319 Ca 0.54 0.84 -0.11 0.00 -1.18 0.00 0.00 61.69 61.78 3d3a s THR 319 Cb -0.34 -3.34 0.05 0.00 1.34 0.00 0.00 72.50 70.21 3d3a s THR 319 CO 0.38 -0.42 1.08 0.00 -0.54 0.00 0.00 174.62 175.12 3d3a h THR 321 N -1.05 1.09 -3.08 0.00 2.02 -1.87 -3.42 112.91 106.60 3d3a h THR 321 Ca -0.45 -0.21 -0.53 0.00 0.77 0.00 0.00 66.41 65.99 3d3a h THR 321 Cb 1.24 0.76 0.07 0.00 -1.74 0.00 0.00 68.15 68.48 3d3a h THR 321 CO 0.55 0.09 0.93 -0.55 0.37 0.00 0.00 175.52 176.91 3d3a s SER 322 N -5.48 6.39 -0.27 4.18 0.15 -1.26 -0.05 113.70 117.36 3d3a s SER 322 Ca -0.13 2.90 0.08 0.00 0.70 0.00 0.00 55.95 59.50 3d3a s SER 322 Cb 0.09 -2.62 0.45 0.00 -1.71 0.00 0.00 66.02 62.22 3d3a s SER 322 CO 0.71 -0.92 1.23 0.00 1.20 0.00 0.00 173.24 175.45 3d3a n TYR 323 N 2.89 1.62 -0.31 3.44 9.36 -0.48 -4.71 117.16 128.97 3d3a n TYR 323 Ca 0.11 -1.93 0.11 0.00 3.32 0.00 0.00 57.90 59.51 3d3a n TYR 323 Cb 0.37 -0.34 0.28 0.00 -0.63 0.00 0.00 39.34 39.02 3d3a n TYR 323 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 3d3a h ASP 324 N 1.67 0.47 0.00 2.98 3.58 -1.87 -3.10 116.42 120.14 3d3a h ASP 324 Ca 0.22 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.80 3d3a h ASP 324 Cb 1.32 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.43 3d3a h ASP 324 CO 0.47 0.12 0.00 0.00 -2.88 0.00 0.00 179.24 176.95 3d3a n TYR 325 N -4.94 0.00 -3.12 0.28 9.36 -1.25 -1.76 117.16 115.73 3d3a n TYR 325 Ca 0.20 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.23 3d3a n TYR 325 Cb 0.56 -1.06 0.05 0.00 -0.63 0.00 0.00 39.34 38.25 3d3a n TYR 325 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3d3a n ASP 326 N 0.00 -5.54 -4.87 2.98 2.03 -1.25 0.01 116.55 109.92 3d3a n ASP 326 Ca 0.00 -0.33 -0.30 0.00 0.52 0.00 0.00 54.79 54.67 3d3a n ASP 326 Cb 0.00 -4.27 0.04 0.00 -0.72 0.00 0.00 41.12 36.17 3d3a n ASP 326 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d3a s ALA 327 N -3.16 2.89 0.27 -1.67 0.00 -0.72 -4.75 121.76 114.62 3d3a s ALA 327 Ca 0.36 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3d3a s ALA 327 Cb -0.16 -3.05 0.60 0.00 0.00 0.00 0.00 23.12 20.52 3d3a s ALA 327 CO 0.44 -1.08 1.75 -1.35 0.00 0.00 0.00 175.76 175.52 3d3a h PRO 328 N -0.61 0.60 -4.59 0.00 0.11 -1.90 -3.31 132.00 122.29 3d3a h PRO 328 Ca -0.45 -0.04 -0.71 0.00 0.11 0.00 0.00 66.00 64.92 3d3a h PRO 328 Cb 1.24 -0.13 -0.23 0.00 0.11 0.00 0.00 31.00 31.99 3d3a h PRO 328 CO 0.63 0.39 -0.49 0.42 -0.21 0.00 0.00 178.00 178.75 3d3a s ILE 329 N -5.94 4.89 1.05 4.15 1.01 -0.38 -3.52 121.20 122.46 3d3a s ILE 329 Ca -0.12 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 3d3a s ILE 329 Cb 0.23 -3.68 0.22 0.00 0.01 0.00 0.00 42.46 39.23 3d3a s ILE 329 CO 0.78 -0.21 1.09 0.54 0.00 0.00 0.00 174.94 177.14 3d3a s ASN 330 N 1.62 2.14 0.34 3.58 4.22 -1.09 -4.15 114.94 121.60 3d3a s ASN 330 Ca 0.04 1.10 0.14 0.00 -2.14 0.00 0.00 52.86 51.99 3d3a s ASN 330 Cb -0.19 -1.71 1.11 0.00 1.28 0.00 0.00 41.25 41.74 3d3a s ASN 330 CO 0.08 -3.42 1.61 -0.08 -2.04 0.00 0.00 177.10 173.25 3d3a h GLU 331 N -2.09 0.12 -0.43 3.55 4.81 -1.85 0.65 114.58 119.33 3d3a h GLU 331 Ca -0.54 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3d3a h GLU 331 Cb 1.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3d3a h GLU 331 CO 0.54 0.08 0.00 -1.13 -0.73 0.00 0.00 179.01 177.77 3d3a n SER 332 N -5.23 2.33 -0.30 1.04 3.41 -1.26 -4.56 113.62 109.06 3d3a n SER 332 Ca 0.32 -1.99 -0.03 0.00 -0.26 0.00 0.00 58.87 56.90 3d3a n SER 332 Cb 1.05 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.70 3d3a n SER 332 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d3a n GLY 333 N 1.20 0.38 3.93 5.00 0.00 0.23 -4.79 105.19 111.13 3d3a n GLY 333 Ca 0.15 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 3d3a n GLY 333 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3a s LYS 334 N -3.44 3.54 0.41 1.61 1.02 -1.26 -4.82 119.74 116.80 3d3a s LYS 334 Ca 0.00 -0.26 -0.25 0.00 0.02 0.00 0.00 55.97 55.49 3d3a s LYS 334 Cb 0.00 -2.73 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 3d3a s LYS 334 CO 0.00 0.27 1.16 0.08 -0.92 0.00 0.00 175.35 175.94 3d3a s VAL 335 N -2.08 3.19 0.19 3.17 1.01 -1.26 -2.67 120.40 121.96 3d3a s VAL 335 Ca 0.40 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.40 3d3a s VAL 335 Cb -0.10 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3d3a s VAL 335 CO 0.31 0.07 -0.05 0.42 0.00 0.00 0.00 175.10 175.85 3d3a s THR 336 N -1.45 1.10 0.38 3.92 -4.23 -1.23 -4.92 115.64 109.21 3d3a s THR 336 Ca 0.58 -2.05 0.12 0.00 -1.18 0.00 0.00 61.69 59.16 3d3a s THR 336 Cb -0.30 -2.12 0.34 0.00 1.34 0.00 0.00 72.50 71.77 3d3a s THR 336 CO 0.37 -0.52 1.87 -0.65 -0.54 0.00 0.00 174.62 175.16 3d3a h PRO 337 N 2.61 0.56 -0.74 3.99 0.11 -1.96 0.90 132.00 137.46 3d3a h PRO 337 Ca -0.37 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 3d3a h PRO 337 Cb 1.21 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3d3a h PRO 337 CO 0.64 0.37 0.24 -0.22 -0.21 0.00 0.00 178.00 178.82 3d3a h LYS 338 N 0.57 1.15 0.27 1.05 3.64 -1.94 -1.84 116.57 119.47 3d3a h LYS 338 Ca 0.44 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3d3a h LYS 338 Cb 0.85 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3d3a h LYS 338 CO -0.19 0.97 -0.28 -0.92 -2.27 0.00 0.00 179.45 176.76 3d3a h TYR 339 N 1.10 -0.76 -0.63 1.91 3.20 -0.93 -1.37 116.97 119.48 3d3a h TYR 339 Ca 0.24 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.22 3d3a h TYR 339 Cb 0.29 0.30 -0.07 0.00 1.54 0.00 0.00 36.73 38.78 3d3a h TYR 339 CO 0.02 -0.41 0.24 -0.07 -1.64 0.00 0.00 178.16 176.30 3d3a h LEU 340 N -0.60 0.23 -0.99 2.82 3.38 -1.21 0.44 115.31 119.39 3d3a h LEU 340 Ca -0.01 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3d3a h LEU 340 Cb 0.55 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3d3a h LEU 340 CO -0.07 0.13 0.13 -0.08 0.09 0.00 0.00 178.44 178.65 3d3a h GLU 341 N 0.41 0.86 0.19 1.13 4.81 -1.07 -0.54 114.58 120.37 3d3a h GLU 341 Ca 0.32 -0.18 -0.31 0.00 -0.13 0.00 0.00 59.36 59.06 3d3a h GLU 341 Cb 0.41 -0.13 0.03 0.00 0.63 0.00 0.00 28.75 29.69 3d3a h GLU 341 CO -0.32 0.78 -1.36 0.28 -0.73 0.00 0.00 179.01 177.66 3d3a h VAL 342 N 0.83 1.32 -0.77 0.32 2.07 -0.33 -2.43 116.25 117.26 3d3a h VAL 342 Ca 0.18 -2.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.03 3d3a h VAL 342 Cb 0.31 2.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 3d3a h VAL 342 CO -0.00 0.80 0.47 -0.09 0.02 0.00 0.00 177.57 178.78 3d3a h ARG 343 N 0.18 1.03 -0.05 1.57 2.43 0.02 -0.23 114.38 119.33 3d3a h ARG 343 Ca -0.21 -0.08 -0.21 0.00 -0.81 0.00 0.00 59.98 58.67 3d3a h ARG 343 Cb 2.05 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 3d3a h ARG 343 CO 0.25 0.71 -0.84 -0.91 -1.51 0.00 0.00 179.97 177.67 3d3a h ASN 344 N 1.05 0.56 0.83 -3.80 4.21 -1.14 -1.71 115.58 115.58 3d3a h ASN 344 Ca 0.28 -0.40 -0.04 0.00 1.21 0.00 0.00 56.30 57.34 3d3a h ASN 344 Cb -0.07 -0.17 0.01 0.00 -1.12 0.00 0.00 38.32 36.98 3d3a h ASN 344 CO -0.05 1.18 -0.40 0.25 -1.29 0.00 0.00 177.43 177.12 3d3a h LEU 345 N 0.28 -0.94 -1.51 1.61 5.85 -0.88 -2.94 115.31 116.78 3d3a h LEU 345 Ca -0.06 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.83 3d3a h LEU 345 Cb 1.45 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.67 3d3a h LEU 345 CO 0.15 -0.60 0.52 -0.07 -0.34 0.00 0.00 178.44 178.09 3d3a h LEU 346 N -1.25 0.45 -0.86 2.25 3.38 -1.13 -1.64 115.31 116.51 3d3a h LEU 346 Ca -0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3d3a h LEU 346 Cb 0.86 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3d3a h LEU 346 CO 0.19 0.23 0.12 0.61 0.09 0.00 0.00 178.44 179.68 3d3a n GLY 347 N -1.50 -0.66 0.12 0.83 0.00 -0.64 -1.93 105.19 101.40 3d3a n GLY 347 Ca 0.15 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 3d3a n GLY 347 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d3a n ASN 348 N -1.96 1.66 -0.49 1.61 3.02 -0.62 -4.07 115.26 114.42 3d3a n ASN 348 Ca -0.01 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 3d3a n ASN 348 Cb 0.14 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 3d3a n ASN 348 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3d3a n TYR 349 N -3.32 0.01 -2.31 3.10 4.02 -0.81 -4.86 117.16 112.98 3d3a n TYR 349 Ca -0.26 -0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.30 3d3a n TYR 349 Cb 1.05 -0.10 -0.02 0.00 -0.02 0.00 0.00 39.34 40.25 3d3a n TYR 349 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3d3a s LEU 350 N -0.02 3.63 0.97 7.72 1.43 -1.25 -5.01 118.68 126.14 3d3a s LEU 350 Ca 0.00 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 3d3a s LEU 350 Cb 0.00 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.79 3d3a s LEU 350 CO 0.00 -0.83 0.66 -2.65 0.23 0.00 0.00 176.35 173.76 3d3a n PRO 351 N -1.60 -0.58 -1.68 1.29 -0.02 -1.26 -4.80 135.00 126.34 3d3a n PRO 351 Ca 0.08 -0.12 -0.45 0.00 -2.02 0.00 0.00 63.50 60.98 3d3a n PRO 351 Cb 0.53 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 3d3a n PRO 351 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3d3a n GLU 352 N -2.77 2.36 -2.86 -0.52 1.02 -1.26 -1.92 120.64 114.70 3d3a n GLU 352 Ca 0.08 0.86 -0.10 0.00 -0.02 0.00 0.00 57.16 57.97 3d3a n GLU 352 Cb 0.54 -2.68 0.03 0.00 -0.02 0.00 0.00 31.44 29.31 3d3a n GLU 352 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d3a n GLY 353 N 3.87 0.27 3.49 0.62 0.00 -1.26 -5.04 105.19 107.14 3d3a n GLY 353 Ca 0.18 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3d3a n GLY 353 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d3a s GLU 354 N -5.41 2.13 -0.06 1.61 0.41 -0.81 -5.13 118.70 111.45 3d3a s GLU 354 Ca 0.22 -0.96 0.04 0.00 -0.41 0.00 0.00 54.97 53.86 3d3a s GLU 354 Cb -0.10 -2.24 -0.00 0.00 -1.78 0.00 0.00 34.13 30.01 3d3a s GLU 354 CO 0.27 0.54 -0.19 -0.08 -0.49 0.00 0.00 175.26 175.31 3d3a s THR 355 N -0.98 1.60 0.39 3.63 -1.32 -1.26 -4.91 115.64 112.80 3d3a s THR 355 Ca 0.16 -0.79 -0.27 0.00 -1.21 0.00 0.00 61.69 59.58 3d3a s THR 355 Cb -0.11 -1.39 -0.09 0.00 -1.51 0.00 0.00 72.50 69.40 3d3a s THR 355 CO 0.07 0.46 1.34 -0.76 -2.21 0.00 0.00 174.62 173.52 3d3a s LEU 356 N 0.18 4.26 0.98 9.08 1.43 -1.26 -4.98 118.68 128.37 3d3a s LEU 356 Ca -0.09 2.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.65 3d3a s LEU 356 Cb -0.14 -3.83 0.18 0.00 0.03 0.00 0.00 46.19 42.43 3d3a s LEU 356 CO 0.04 -0.83 1.11 -2.84 0.23 0.00 0.00 176.35 174.06 3d3a s PRO 357 N -2.16 0.55 0.54 1.29 0.02 -1.26 -4.97 135.00 129.01 3d3a s PRO 357 Ca 0.55 1.30 -0.18 0.00 0.02 0.00 0.00 61.00 62.70 3d3a s PRO 357 Cb -0.40 -1.69 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 3d3a s PRO 357 CO 0.52 -2.87 1.03 -1.21 -0.33 0.00 0.00 177.00 174.15 3d3a s GLU 358 N -4.62 3.63 -0.13 5.54 0.41 -1.26 -4.65 118.70 117.62 3d3a s GLU 358 Ca 0.67 1.20 -0.27 0.00 -0.41 0.00 0.00 54.97 56.16 3d3a s GLU 358 Cb -0.23 -2.08 -0.01 0.00 -1.78 0.00 0.00 34.13 30.03 3d3a s GLU 358 CO 0.60 -0.55 0.92 0.42 -0.49 0.00 0.00 175.26 176.15 3d3a s ILE 359 N -2.32 4.84 0.79 -1.63 1.01 -1.26 -4.58 121.20 118.05 3d3a s ILE 359 Ca 0.64 1.84 -0.13 0.00 0.00 0.00 0.00 60.65 63.00 3d3a s ILE 359 Cb -0.15 -4.23 0.08 0.00 0.01 0.00 0.00 42.46 38.17 3d3a s ILE 359 CO 0.29 0.03 1.17 -2.84 0.00 0.00 0.00 174.94 173.59 3d3a s PRO 360 N 2.01 1.79 0.39 2.79 0.02 -1.26 -4.97 135.00 135.78 3d3a s PRO 360 Ca 0.44 1.63 -0.24 0.00 0.02 0.00 0.00 61.00 62.84 3d3a s PRO 360 Cb -0.17 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 3d3a s PRO 360 CO 0.15 -2.07 1.06 -0.51 -0.33 0.00 0.00 177.00 175.31 3d3a s ASP 361 N -2.38 6.75 0.84 2.53 1.01 -1.26 -5.02 116.67 119.14 3d3a s ASP 361 Ca 0.70 2.08 -0.11 0.00 0.71 0.00 0.00 52.55 55.93 3d3a s ASP 361 Cb -0.26 -2.59 0.10 0.00 1.01 0.00 0.00 42.92 41.18 3d3a s ASP 361 CO 0.50 -0.50 1.09 -0.94 0.21 0.00 0.00 175.17 175.54 3d3a s SER 362 N -1.48 3.94 0.02 0.27 1.04 -1.26 -5.01 113.70 111.22 3d3a s SER 362 Ca 0.57 1.57 -0.23 0.00 0.48 0.00 0.00 55.95 58.34 3d3a s SER 362 Cb -0.23 -2.27 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 3d3a s SER 362 CO 0.29 -2.36 0.70 -0.63 0.98 0.00 0.00 173.24 172.22 3d3a s ILE 363 N -2.95 4.80 0.61 -1.02 1.09 -1.26 -5.03 121.20 117.43 3d3a s ILE 363 Ca 0.62 1.48 -0.18 0.00 -1.10 0.00 0.00 60.65 61.46 3d3a s ILE 363 Cb -0.17 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.16 3d3a s ILE 363 CO 0.56 0.38 1.21 -2.16 -0.10 0.00 0.00 174.94 174.84 3d3a s PRO 364 N -0.10 2.89 -0.03 2.79 0.04 -1.26 -4.74 135.00 134.58 3d3a s PRO 364 Ca 0.35 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.25 3d3a s PRO 364 Cb -0.20 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3d3a s PRO 364 CO 0.21 -1.27 -0.11 0.95 0.04 0.00 0.00 177.00 176.81 3d3a s THR 365 N -1.63 3.30 0.29 1.26 -4.23 -1.26 0.26 115.64 113.63 3d3a s THR 365 Ca 0.77 -0.73 0.11 0.00 -1.18 0.00 0.00 61.69 60.66 3d3a s THR 365 Cb -0.30 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 3d3a s THR 365 CO 0.34 0.52 -0.18 0.27 -0.54 0.00 0.00 174.62 175.04 3d3a s ILE 366 N -0.83 2.40 -0.15 2.99 -4.36 0.13 -4.82 121.20 116.57 3d3a s ILE 366 Ca 0.13 -2.37 -0.01 0.00 -0.26 0.00 0.00 60.65 58.14 3d3a s ILE 366 Cb -0.11 -2.35 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 3d3a s ILE 366 CO 0.03 -0.37 -0.11 0.00 0.24 0.00 0.00 174.94 174.73 3d3a s ALA 367 N -2.55 2.70 -0.19 2.27 0.00 -1.26 -4.13 121.76 118.60 3d3a s ALA 367 Ca 0.30 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 3d3a s ALA 367 Cb -0.04 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3d3a s ALA 367 CO 0.15 0.15 0.04 0.42 0.00 0.00 0.00 175.76 176.52 3d3a s ILE 368 N 0.51 4.50 0.59 0.00 1.01 0.49 -4.92 121.20 123.38 3d3a s ILE 368 Ca -0.07 -0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 3d3a s ILE 368 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3d3a s ILE 368 CO 0.04 0.45 1.21 -2.16 0.00 0.00 0.00 174.94 174.47 3d3a s PRO 369 N 0.58 3.01 -0.15 2.79 0.04 -1.26 -0.63 135.00 139.37 3d3a s PRO 369 Ca 0.02 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.65 3d3a s PRO 369 Cb -0.13 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 3d3a s PRO 369 CO 0.02 -1.18 0.71 2.41 0.04 0.00 0.00 177.00 179.00 3d3a n THR 370 N -1.55 0.00 -3.80 1.26 -1.04 -1.26 -4.70 114.28 103.19 3d3a n THR 370 Ca 0.13 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.78 3d3a n THR 370 Cb 0.50 -0.15 -0.13 0.00 -1.82 0.00 0.00 70.33 68.73 3d3a n THR 370 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3d3a s ILE 371 N 0.89 3.86 0.00 12.58 1.01 0.18 -4.97 121.20 134.75 3d3a s ILE 371 Ca 0.52 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3d3a s ILE 371 Cb -0.73 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3d3a s ILE 371 CO 0.37 0.20 0.00 0.29 0.00 0.00 0.00 174.94 175.80 3d3a n LYS 372 N 4.85 1.67 0.00 2.79 5.02 -1.26 -1.53 118.16 129.70 3d3a n LYS 372 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3d3a n LYS 372 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 3d3a n LYS 372 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3d3a n THR 374 N 0.00 0.00 -2.93 -0.18 -2.24 -0.90 -4.80 114.28 103.23 3d3a n THR 374 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3d3a n THR 374 Cb 0.00 -0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.16 3d3a n THR 374 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d3a n GLU 375 N -2.11 0.65 -3.16 -0.78 1.02 -0.70 -4.60 120.64 110.96 3d3a n GLU 375 Ca 0.00 -1.92 0.05 0.00 -0.02 0.00 0.00 57.16 55.27 3d3a n GLU 375 Cb 0.00 -0.20 -0.02 0.00 -0.02 0.00 0.00 31.44 31.20 3d3a n GLU 375 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d3a s ALA 377 N -2.54 -3.67 0.06 0.62 0.00 -0.01 -1.46 121.76 114.76 3d3a s ALA 377 Ca 0.39 1.39 -0.31 0.00 0.00 0.00 0.00 51.96 53.43 3d3a s ALA 377 Cb -0.03 -2.54 -0.07 0.00 0.00 0.00 0.00 23.12 20.47 3d3a s ALA 377 CO 0.25 -1.43 1.50 0.08 0.00 0.00 0.00 175.76 176.15 3d3a s VAL 378 N 2.89 3.29 0.18 0.00 1.01 -1.26 -0.98 120.40 125.54 3d3a s VAL 378 Ca -0.06 0.80 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 3d3a s VAL 378 Cb -0.08 -3.51 0.09 0.00 0.00 0.00 0.00 36.38 32.87 3d3a s VAL 378 CO -0.09 0.02 1.73 0.25 0.00 0.00 0.00 175.10 177.00 3d3a h LEU 379 N 7.92 0.06 -2.17 3.92 5.85 -1.51 -1.67 115.31 127.71 3d3a h LEU 379 Ca -0.41 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3d3a h LEU 379 Cb 1.20 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3d3a h LEU 379 CO 0.90 0.06 -0.06 -0.26 -0.34 0.00 0.00 178.44 178.75 3d3a h PHE 380 N 0.26 0.00 -0.25 1.25 0.04 -1.92 -0.59 116.94 115.73 3d3a h PHE 380 Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 3d3a h PHE 380 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3d3a h PHE 380 CO -0.20 0.06 0.00 -0.25 -0.60 0.00 0.00 178.31 177.32 3d3a n ASP 381 N -3.87 2.19 -2.41 2.17 8.00 -0.66 -4.10 116.55 117.87 3d3a n ASP 381 Ca -0.03 -1.82 -0.04 0.00 0.71 0.00 0.00 54.79 53.61 3d3a n ASP 381 Cb 0.15 -0.16 0.05 0.00 -0.02 0.00 0.00 41.12 41.13 3d3a n ASP 381 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3d3a n ASN 382 N 0.67 2.16 -4.79 -2.24 3.02 -0.24 -4.98 115.26 108.86 3d3a n ASN 382 Ca 0.17 -2.43 -0.35 0.00 -0.03 0.00 0.00 54.58 51.93 3d3a n ASN 382 Cb 0.40 -0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 3d3a n ASN 382 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3d3a s LEU 383 N -3.24 4.01 0.00 3.41 1.43 -1.15 -4.97 118.68 118.17 3d3a s LEU 383 Ca 0.33 1.99 -0.01 0.00 -1.03 0.00 0.00 54.13 55.41 3d3a s LEU 383 Cb 0.35 -4.35 0.01 0.00 0.03 0.00 0.00 46.19 42.23 3d3a s LEU 383 CO -0.04 -0.62 0.06 -0.81 0.23 0.00 0.00 176.35 175.17 3d3a n PRO 384 N -0.47 -0.26 -2.41 1.29 -0.04 -1.26 -4.98 135.00 126.88 3d3a n PRO 384 Ca 0.07 -0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.03 3d3a n PRO 384 Cb 0.51 -0.06 -0.04 0.00 -0.04 0.00 0.00 33.50 33.87 3d3a n PRO 384 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3d3a s HIS 385 N -1.12 3.47 0.52 0.54 3.76 -1.26 -5.00 115.29 116.19 3d3a s HIS 385 Ca 0.03 1.51 -0.19 0.00 -0.15 0.00 0.00 55.06 56.26 3d3a s HIS 385 Cb -0.00 -3.39 -0.07 0.00 1.11 0.00 0.00 32.58 30.23 3d3a s HIS 385 CO 0.02 -1.00 1.07 -1.25 -0.85 0.00 0.00 174.74 172.74 3d3a s PRO 386 N -0.60 3.58 -0.18 8.40 0.04 -1.26 -4.78 135.00 140.20 3d3a s PRO 386 Ca 0.50 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 3d3a s PRO 386 Cb -0.32 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 3d3a s PRO 386 CO 0.38 -0.63 -0.02 0.15 0.04 0.00 0.00 177.00 176.92 3d3a s LYS 387 N -3.34 3.63 -0.08 4.56 1.02 0.86 -4.88 119.74 121.51 3d3a s LYS 387 Ca 0.69 -0.53 -0.17 0.00 0.02 0.00 0.00 55.97 55.98 3d3a s LYS 387 Cb -0.19 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 3d3a s LYS 387 CO 0.24 0.11 0.46 -1.21 -0.92 0.00 0.00 175.35 174.03 3d3a s GLU 388 N 0.71 4.23 -0.10 1.68 2.02 -1.26 0.85 118.70 126.83 3d3a s GLU 388 Ca -0.01 0.45 -0.05 0.00 0.02 0.00 0.00 54.97 55.38 3d3a s GLU 388 Cb -0.14 -3.37 0.05 0.00 0.10 0.00 0.00 34.13 30.76 3d3a s GLU 388 CO 0.02 0.32 0.23 0.45 0.02 0.00 0.00 175.26 176.30 3d3a s SER 389 N 0.10 -0.09 0.06 -0.19 0.15 -0.17 -4.97 113.70 108.59 3d3a s SER 389 Ca 0.25 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 57.11 3d3a s SER 389 Cb -0.16 0.42 -0.18 0.00 -1.71 0.00 0.00 66.02 64.40 3d3a s SER 389 CO 0.11 -0.18 1.55 -0.08 1.20 0.00 0.00 173.24 175.84 3d3a h GLU 390 N 7.45 -0.60 -6.32 5.44 4.81 -1.95 0.35 114.58 123.76 3d3a h GLU 390 Ca -0.35 0.04 -0.46 0.00 -0.13 0.00 0.00 59.36 58.46 3d3a h GLU 390 Cb 1.14 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 3d3a h GLU 390 CO 0.33 -0.36 -0.31 -0.51 -0.73 0.00 0.00 179.01 177.44 3d3a s ASP 391 N -4.70 5.36 0.29 1.04 1.01 -1.26 0.31 116.67 118.72 3d3a s ASP 391 Ca -0.16 -0.59 -0.29 0.00 0.71 0.00 0.00 52.55 52.22 3d3a s ASP 391 Cb 0.04 -0.58 -0.10 0.00 1.01 0.00 0.00 42.92 43.29 3d3a s ASP 391 CO 0.61 -0.73 1.14 -0.63 0.21 0.00 0.00 175.17 175.76 3d3a s ILE 392 N -2.42 3.34 0.03 0.77 -1.09 -1.26 -4.86 121.20 115.72 3d3a s ILE 392 Ca 0.52 1.35 -0.01 0.00 -2.23 0.00 0.00 60.65 60.28 3d3a s ILE 392 Cb -0.07 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 3d3a s ILE 392 CO 0.31 0.32 -0.02 -0.13 -1.23 0.00 0.00 174.94 174.19 3d3a s ARG 393 N -1.54 0.46 0.00 2.79 0.52 -1.26 -4.91 118.95 115.01 3d3a s ARG 393 Ca 0.46 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 3d3a s ARG 393 Cb -0.33 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.30 3d3a s ARG 393 CO 0.43 -0.09 0.00 0.25 0.02 0.00 0.00 175.30 175.91 3d3a n THR 394 N 0.89 0.00 0.00 0.02 -2.24 -1.25 -4.48 114.28 107.22 3d3a n THR 394 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3d3a n THR 394 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3d3a n THR 394 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d3a n GLU 396 N 0.00 0.00 0.16 -0.78 4.71 -1.13 -3.38 120.64 120.22 3d3a n GLU 396 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.28 3d3a n GLU 396 Cb 0.00 0.00 0.57 0.00 -1.01 0.00 0.00 31.44 31.00 3d3a n GLU 396 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3d3a h ALA 397 N 0.00 1.00 -0.55 0.62 0.00 -1.91 -0.64 119.26 117.78 3d3a h ALA 397 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3d3a h ALA 397 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3d3a h ALA 397 CO 0.00 0.00 0.13 1.19 0.00 0.00 0.00 179.25 180.57 3d3a n PHE 398 N -2.35 1.86 -2.66 0.00 3.72 -1.22 -4.94 117.46 111.87 3d3a n PHE 398 Ca 0.01 -1.13 -0.21 0.00 -0.05 0.00 0.00 57.45 56.07 3d3a n PHE 398 Cb 0.17 -0.55 0.01 0.00 -0.94 0.00 0.00 39.48 38.16 3d3a n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3d3a n ASP 399 N -0.30 -5.79 -4.16 4.37 2.03 -0.25 -5.00 116.55 107.45 3d3a n ASP 399 Ca 0.34 -0.11 -0.26 0.00 0.52 0.00 0.00 54.79 55.27 3d3a n ASP 399 Cb 1.20 -4.77 -0.16 0.00 -0.72 0.00 0.00 41.12 36.67 3d3a n ASP 399 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3d3a s GLN 400 N -5.32 1.67 -0.06 -0.67 0.74 -1.26 -5.03 119.66 109.74 3d3a s GLN 400 Ca 0.12 -0.65 0.07 0.00 0.05 0.00 0.00 55.36 54.96 3d3a s GLN 400 Cb -0.06 -1.53 -0.10 0.00 1.10 0.00 0.00 33.01 32.43 3d3a s GLN 400 CO 0.15 0.32 0.06 0.41 -0.55 0.00 0.00 175.29 175.69 3d3a n GLY 401 N 2.89 -0.38 3.10 2.59 0.00 -1.26 -2.86 105.19 109.27 3d3a n GLY 401 Ca -0.16 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 3d3a n GLY 401 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d3a s TRP 402 N -2.27 0.85 0.00 1.61 0.51 -1.26 -4.99 118.94 113.40 3d3a s TRP 402 Ca -0.04 -0.47 0.00 0.00 -2.12 0.00 0.00 56.10 53.47 3d3a s TRP 402 Cb 0.03 -0.50 0.00 0.00 -0.81 0.00 0.00 33.47 32.19 3d3a s TRP 402 CO 0.32 -0.03 0.00 0.41 -0.51 0.00 0.00 176.95 177.14 3d3a n GLY 403 N 1.45 0.24 3.47 0.98 0.00 -1.26 -3.93 105.19 106.14 3d3a n GLY 403 Ca -0.22 -1.89 -0.23 0.00 0.00 0.00 0.00 46.02 43.67 3d3a n GLY 403 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d3a s SER 404 N -4.00 3.29 -0.07 1.61 0.01 -0.52 -0.91 113.70 113.11 3d3a s SER 404 Ca 0.00 -1.12 -0.03 0.00 1.31 0.00 0.00 55.95 56.11 3d3a s SER 404 Cb 0.00 -0.26 0.04 0.00 0.21 0.00 0.00 66.02 66.01 3d3a s SER 404 CO 0.00 -0.16 0.14 -0.51 0.41 0.00 0.00 173.24 173.12 3d3a s ILE 405 N -2.73 -0.08 -0.26 1.44 2.07 0.17 -0.41 121.20 121.40 3d3a s ILE 405 Ca 0.30 0.21 -0.09 0.00 -1.41 0.00 0.00 60.65 59.65 3d3a s ILE 405 Cb 0.00 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.31 3d3a s ILE 405 CO 0.14 0.08 0.14 -0.22 -1.91 0.00 0.00 174.94 173.17 3d3a s LEU 406 N 1.33 3.82 -0.29 8.50 2.96 -0.10 -0.44 118.68 134.45 3d3a s LEU 406 Ca -0.08 -0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 3d3a s LEU 406 Cb -0.12 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3d3a s LEU 406 CO -0.06 -0.02 0.15 -0.31 -1.32 0.00 0.00 176.35 174.79 3d3a s TYR 407 N 1.58 3.17 0.06 5.38 1.51 -0.13 -0.88 117.35 128.04 3d3a s TYR 407 Ca 0.07 -0.29 0.08 0.00 -1.01 0.00 0.00 57.07 55.91 3d3a s TYR 407 Cb -0.15 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 3d3a s TYR 407 CO 0.07 -0.33 -0.21 0.50 -1.11 0.00 0.00 175.55 174.47 3d3a s ARG 408 N 1.67 1.36 0.38 -0.62 3.52 -0.19 -0.67 118.95 124.40 3d3a s ARG 408 Ca 0.06 -1.02 -0.13 0.00 -0.13 0.00 0.00 55.73 54.51 3d3a s ARG 408 Cb -0.16 -1.53 0.05 0.00 -1.56 0.00 0.00 34.95 31.74 3d3a s ARG 408 CO 0.07 0.38 0.73 -0.08 -0.81 0.00 0.00 175.30 175.60 3d3a s THR 409 N -0.89 0.00 0.22 4.11 -1.32 -0.71 -0.13 115.64 116.92 3d3a s THR 409 Ca 0.08 -1.11 0.11 0.00 -1.21 0.00 0.00 61.69 59.56 3d3a s THR 409 Cb -0.09 -2.83 -0.04 0.00 -1.51 0.00 0.00 72.50 68.02 3d3a s THR 409 CO 0.02 0.00 -0.15 -0.94 -2.21 0.00 0.00 174.62 171.34 3d3a s SER 410 N -3.10 3.88 0.15 8.08 1.04 -1.26 -0.88 113.70 121.61 3d3a s SER 410 Ca 0.18 -0.79 0.09 0.00 0.48 0.00 0.00 55.95 55.92 3d3a s SER 410 Cb -0.04 -0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.55 3d3a s SER 410 CO 0.13 0.08 -0.20 -0.76 0.98 0.00 0.00 173.24 173.46 3d3a s LEU 411 N -3.06 2.39 0.66 2.42 1.43 -0.55 -4.92 118.68 117.07 3d3a s LEU 411 Ca 0.26 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 3d3a s LEU 411 Cb -0.07 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 3d3a s LEU 411 CO 0.14 0.03 1.05 -0.44 0.23 0.00 0.00 176.35 177.36 3d3a s SER 412 N -2.44 5.68 0.73 2.29 0.01 -1.26 -1.13 113.70 117.58 3d3a s SER 412 Ca 0.14 1.57 -0.14 0.00 1.31 0.00 0.00 55.95 58.84 3d3a s SER 412 Cb -0.07 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.70 3d3a s SER 412 CO 0.07 -1.24 1.14 0.00 0.41 0.00 0.00 173.24 173.61 3d3a s ALA 413 N -3.03 2.22 -0.18 1.44 0.00 -1.26 -4.70 121.76 116.24 3d3a s ALA 413 Ca 0.58 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 3d3a s ALA 413 Cb -0.13 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.67 3d3a s ALA 413 CO 0.53 -1.70 0.48 0.45 0.00 0.00 0.00 175.76 175.53 3d3a s SER 414 N -2.58 -0.52 0.01 0.00 0.15 0.16 -4.88 113.70 106.04 3d3a s SER 414 Ca 0.68 0.99 -0.06 0.00 0.70 0.00 0.00 55.95 58.26 3d3a s SER 414 Cb -0.23 0.98 -0.29 0.00 -1.71 0.00 0.00 66.02 64.78 3d3a s SER 414 CO 0.47 -0.17 0.89 0.44 1.20 0.00 0.00 173.24 176.07 3d3a h ASP 415 N 5.58 0.48 -1.79 5.45 3.32 -1.95 -1.74 116.42 125.77 3d3a h ASP 415 Ca -0.28 -0.62 -0.53 0.00 0.02 0.00 0.00 57.03 55.61 3d3a h ASP 415 Cb 1.18 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 3d3a h ASP 415 CO 0.21 1.51 -0.50 -0.54 -1.72 0.00 0.00 179.24 178.20 3d3a s LYS 416 N -2.62 2.43 0.58 3.56 -0.14 -1.26 -4.63 119.74 117.66 3d3a s LYS 416 Ca -0.09 -1.55 -0.20 0.00 -1.36 0.00 0.00 55.97 52.77 3d3a s LYS 416 Cb 0.06 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.95 3d3a s LYS 416 CO 0.87 0.04 1.33 -2.00 -0.76 0.00 0.00 175.35 174.83 3d3a s GLU 417 N -3.92 2.95 0.24 1.68 2.12 -1.26 -4.36 118.70 116.14 3d3a s GLU 417 Ca 0.40 2.17 0.02 0.00 0.36 0.00 0.00 54.97 57.92 3d3a s GLU 417 Cb -0.02 -2.12 -0.05 0.00 0.26 0.00 0.00 34.13 32.20 3d3a s GLU 417 CO 0.24 -1.32 0.05 -0.65 -0.54 0.00 0.00 175.26 173.04 3d3a s GLN 418 N -3.07 1.34 0.01 4.30 -0.21 -0.53 -4.79 119.66 116.71 3d3a s GLN 418 Ca 0.75 -1.70 0.05 0.00 0.02 0.00 0.00 55.36 54.48 3d3a s GLN 418 Cb -0.39 -0.36 -0.02 0.00 1.00 0.00 0.00 33.01 33.24 3d3a s GLN 418 CO 0.45 -0.21 -0.16 0.95 -2.12 0.00 0.00 175.29 174.19 3d3a s THR 419 N -3.64 1.29 -0.14 -0.19 -4.23 -0.74 -0.19 115.64 107.80 3d3a s THR 419 Ca 0.33 -0.83 -0.02 0.00 -1.18 0.00 0.00 61.69 59.99 3d3a s THR 419 Cb 0.07 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 3d3a s THR 419 CO 0.11 0.26 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.17 3d3a s LEU 420 N -0.65 3.11 -0.25 4.79 2.96 0.18 -0.63 118.68 128.19 3d3a s LEU 420 Ca 0.05 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3d3a s LEU 420 Cb -0.07 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.93 3d3a s LEU 420 CO 0.00 0.19 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.91 3d3a s LEU 421 N 0.24 3.25 -0.41 -0.68 2.96 0.46 0.08 118.68 124.58 3d3a s LEU 421 Ca -0.04 -1.10 -0.17 0.00 -0.22 0.00 0.00 54.13 52.60 3d3a s LEU 421 Cb -0.14 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3d3a s LEU 421 CO 0.04 -0.15 0.45 -0.63 -1.32 0.00 0.00 176.35 174.73 3d3a s ILE 422 N 1.23 5.07 -0.93 6.68 1.01 0.01 -0.64 121.20 133.62 3d3a s ILE 422 Ca -0.03 -0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.19 3d3a s ILE 422 Cb -0.18 -4.02 0.10 0.00 0.01 0.00 0.00 42.46 38.36 3d3a s ILE 422 CO -0.05 -0.39 1.23 -0.89 0.00 0.00 0.00 174.94 174.84 3d3a s THR 423 N 2.19 4.39 -0.09 2.92 2.01 0.13 -4.19 115.64 123.00 3d3a s THR 423 Ca 0.13 -1.14 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 3d3a s THR 423 Cb -0.17 -4.87 0.00 0.00 0.01 0.00 0.00 72.50 67.47 3d3a s THR 423 CO 0.14 -1.66 0.04 -0.62 -0.69 0.00 0.00 174.62 171.83 3d3a n GLU 424 N 7.53 -0.79 -2.53 4.92 1.02 -1.26 -2.65 120.64 126.89 3d3a n GLU 424 Ca 0.24 1.02 -0.41 0.00 -0.02 0.00 0.00 57.16 58.00 3d3a n GLU 424 Cb 0.49 -2.23 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 3d3a n GLU 424 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d3a s ALA 425 N -0.70 2.71 -0.56 0.62 0.00 -1.26 -1.66 121.76 120.91 3d3a s ALA 425 Ca 0.02 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.27 3d3a s ALA 425 Cb -0.01 -4.29 0.01 0.00 0.00 0.00 0.00 23.12 18.83 3d3a s ALA 425 CO 0.19 -3.36 1.51 -1.01 0.00 0.00 0.00 175.76 173.09 3d3a s HIS 426 N 5.83 2.15 0.00 0.00 3.76 0.28 -4.40 115.29 122.90 3d3a s HIS 426 Ca 0.38 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.80 3d3a s HIS 426 Cb -0.07 -4.33 0.00 0.00 1.11 0.00 0.00 32.58 29.28 3d3a s HIS 426 CO 0.12 -2.12 0.00 -0.25 -0.85 0.00 0.00 174.74 171.65 3d3a n ASP 427 N 10.12 0.00 -3.58 1.40 9.92 -1.26 -3.88 116.55 129.27 3d3a n ASP 427 Ca 0.14 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.21 3d3a n ASP 427 Cb 0.49 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.83 3d3a n ASP 427 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 3d3a s TRP 428 N 0.00 -0.14 0.11 1.24 -0.00 -0.80 0.38 118.94 119.72 3d3a s TRP 428 Ca 0.00 0.25 0.09 0.00 -0.00 0.00 0.00 56.10 56.44 3d3a s TRP 428 Cb 0.00 -0.40 -0.04 0.00 -0.00 0.00 0.00 33.47 33.04 3d3a s TRP 428 CO 0.00 -0.46 -0.21 0.00 -0.00 0.00 0.00 176.95 176.29 3d3a s ALA 429 N 2.27 2.58 -0.08 5.86 0.00 0.33 -0.12 121.76 132.60 3d3a s ALA 429 Ca 0.04 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 50.70 3d3a s ALA 429 Cb -0.14 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 3d3a s ALA 429 CO -0.09 0.58 -0.23 -0.65 0.00 0.00 0.00 175.76 175.36 3d3a s GLN 430 N -1.98 2.67 -0.14 0.00 -0.21 -0.41 -0.10 119.66 119.49 3d3a s GLN 430 Ca 0.16 -0.84 -0.00 0.00 0.02 0.00 0.00 55.36 54.70 3d3a s GLN 430 Cb -0.10 -2.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.77 3d3a s GLN 430 CO 0.08 0.25 -0.13 0.08 -2.12 0.00 0.00 175.29 173.45 3d3a s VAL 431 N 0.15 3.02 0.09 1.09 1.01 -0.45 -1.20 120.40 124.11 3d3a s VAL 431 Ca -0.12 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.29 3d3a s VAL 431 Cb -0.16 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3d3a s VAL 431 CO 0.06 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 175.08 3d3a s PHE 432 N 0.54 2.06 -0.24 5.22 0.40 0.11 0.27 117.98 126.34 3d3a s PHE 432 Ca -0.08 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 3d3a s PHE 432 Cb -0.16 -1.16 0.05 0.00 0.51 0.00 0.00 43.02 42.27 3d3a s PHE 432 CO 0.04 0.22 -0.11 -1.17 0.70 0.00 0.00 175.22 174.90 3d3a s LEU 433 N -1.74 3.07 -1.44 -0.37 2.96 -0.23 -0.78 118.68 120.14 3d3a s LEU 433 Ca 0.10 -1.24 -0.10 0.00 -0.22 0.00 0.00 54.13 52.67 3d3a s LEU 433 Cb -0.10 -1.45 0.06 0.00 0.50 0.00 0.00 46.19 45.20 3d3a s LEU 433 CO 0.04 -0.17 0.72 0.59 -1.32 0.00 0.00 176.35 176.21 3d3a n ASN 434 N 4.51 -4.79 0.00 3.68 3.02 0.22 -1.57 115.26 120.33 3d3a n ASN 434 Ca -0.14 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 3d3a n ASN 434 Cb 0.44 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 3d3a n ASN 434 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d3a n GLY 435 N -1.47 2.52 3.66 7.41 0.00 -1.26 -5.03 105.19 111.02 3d3a n GLY 435 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3d3a n GLY 435 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d3a s LYS 436 N -0.55 4.21 0.15 1.61 2.20 -0.61 -4.99 119.74 121.77 3d3a s LYS 436 Ca 0.00 0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 55.81 3d3a s LYS 436 Cb 0.00 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 3d3a s LYS 436 CO 0.00 -0.17 1.66 0.21 -0.36 0.00 0.00 175.35 176.68 3d3a s LYS 437 N 1.70 4.18 -0.20 4.03 2.20 -1.26 -1.07 119.74 129.32 3d3a s LYS 437 Ca 0.26 2.45 0.04 0.00 -0.36 0.00 0.00 55.97 58.37 3d3a s LYS 437 Cb -0.16 -3.27 -0.15 0.00 -1.51 0.00 0.00 37.83 32.74 3d3a s LYS 437 CO 0.10 -0.70 -0.14 1.28 -0.36 0.00 0.00 175.35 175.54 3d3a n LEU 438 N 4.49 2.37 -3.83 5.43 7.99 0.14 -4.92 117.00 128.67 3d3a n LEU 438 Ca 0.15 -0.09 -0.06 0.00 -0.01 0.00 0.00 56.01 56.00 3d3a n LEU 438 Cb 0.38 -0.50 -0.02 0.00 -0.11 0.00 0.00 43.42 43.17 3d3a n LEU 438 CO 0.63 0.76 0.55 0.00 -1.51 0.00 0.00 177.39 177.82 3d3a s ALA 439 N -2.42 -1.35 -0.08 -1.18 0.00 -1.16 -4.95 121.76 110.63 3d3a s ALA 439 Ca -0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 3d3a s ALA 439 Cb 0.07 0.79 0.02 0.00 0.00 0.00 0.00 23.12 24.00 3d3a s ALA 439 CO 0.53 -1.04 -0.04 0.99 0.00 0.00 0.00 175.76 176.20 3d3a s THR 440 N -3.73 0.64 -0.18 0.00 2.01 -1.26 -1.35 115.64 111.78 3d3a s THR 440 Ca 0.11 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 3d3a s THR 440 Cb -0.05 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 3d3a s THR 440 CO 0.06 0.29 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.43 3d3a s LEU 441 N 1.58 2.81 -0.14 4.42 2.01 0.86 -4.97 118.68 125.24 3d3a s LEU 441 Ca 0.00 -0.36 -0.01 0.00 0.01 0.00 0.00 54.13 53.77 3d3a s LEU 441 Cb -0.13 -1.68 -0.02 0.00 0.01 0.00 0.00 46.19 44.37 3d3a s LEU 441 CO -0.04 0.07 -0.10 -0.55 1.01 0.00 0.00 176.35 176.73 3d3a s SER 442 N 0.95 4.18 0.55 2.29 0.15 -1.26 -0.51 113.70 120.05 3d3a s SER 442 Ca -0.01 -0.30 0.31 0.00 0.70 0.00 0.00 55.95 56.65 3d3a s SER 442 Cb -0.15 -1.66 1.58 0.00 -1.71 0.00 0.00 66.02 64.09 3d3a s SER 442 CO -0.00 0.15 2.10 -0.09 1.20 0.00 0.00 173.24 176.59 3d3a h ARG 443 N 6.86 0.00 -0.13 5.44 2.43 -0.31 -1.46 114.38 127.21 3d3a h ARG 443 Ca -0.29 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.92 3d3a h ARG 443 Cb 1.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3d3a h ARG 443 CO 0.58 0.08 0.09 -0.07 -1.51 0.00 0.00 179.97 179.14 3d3a h LEU 444 N 0.00 0.03 -1.37 3.80 4.07 -1.80 -2.11 115.31 117.92 3d3a h LEU 444 Ca -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3d3a h LEU 444 Cb 0.33 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3d3a h LEU 444 CO 0.01 0.02 -0.05 0.29 -1.08 0.00 0.00 178.44 177.62 3d3a n LYS 445 N -4.51 1.07 -3.32 1.13 5.02 -0.62 -4.49 118.16 112.44 3d3a n LYS 445 Ca -0.00 -1.17 -0.19 0.00 -2.02 0.00 0.00 58.31 54.93 3d3a n LYS 445 Cb 0.19 -1.24 0.06 0.00 -0.02 0.00 0.00 35.03 34.02 3d3a n LYS 445 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d3a n GLY 446 N 0.80 -0.25 3.87 0.72 0.00 -0.77 -4.91 105.19 104.64 3d3a n GLY 446 Ca 0.07 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3d3a n GLY 446 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d3a s GLU 447 N -5.99 3.83 0.00 1.61 2.02 -1.12 -4.98 118.70 114.07 3d3a s GLU 447 Ca 0.45 0.60 0.00 0.00 0.02 0.00 0.00 54.97 56.04 3d3a s GLU 447 Cb -0.20 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.71 3d3a s GLU 447 CO 0.55 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.15 3d3a n GLY 448 N -1.34 0.95 3.87 -1.39 0.00 -1.26 -4.65 105.19 101.37 3d3a n GLY 448 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3d3a n GLY 448 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3a s VAL 449 N 0.00 5.47 -0.02 1.61 0.11 -1.26 -0.81 120.40 125.50 3d3a s VAL 449 Ca 0.00 0.19 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 3d3a s VAL 449 Cb 0.00 -3.38 -0.00 0.00 -1.53 0.00 0.00 36.38 31.47 3d3a s VAL 449 CO 0.00 0.62 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.61 3d3a s VAL 450 N -1.02 0.73 -0.22 2.04 1.01 0.11 -4.96 120.40 118.09 3d3a s VAL 450 Ca 0.15 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 3d3a s VAL 450 Cb -0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 3d3a s VAL 450 CO 0.04 0.22 0.59 -0.54 0.00 0.00 0.00 175.10 175.41 3d3a s LYS 451 N -0.01 4.16 -0.13 2.72 1.02 -1.26 0.52 119.74 126.77 3d3a s LYS 451 Ca 0.00 0.52 -0.05 0.00 0.02 0.00 0.00 55.97 56.47 3d3a s LYS 451 Cb -0.06 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 3d3a s LYS 451 CO -0.00 -0.28 0.05 -0.51 -0.92 0.00 0.00 175.35 173.70 3d3a s LEU 452 N 2.05 3.84 0.82 3.17 1.43 0.73 -4.97 118.68 125.76 3d3a s LEU 452 Ca 0.26 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 3d3a s LEU 452 Cb -0.16 -1.93 0.14 0.00 0.03 0.00 0.00 46.19 44.28 3d3a s LEU 452 CO 0.10 0.31 1.15 -2.16 0.23 0.00 0.00 176.35 175.97 3d3a s PRO 453 N -0.46 1.34 0.27 1.29 0.04 -1.26 -1.45 135.00 134.77 3d3a s PRO 453 Ca 0.10 -0.60 -0.29 0.00 0.04 0.00 0.00 61.00 60.24 3d3a s PRO 453 Cb -0.12 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 3d3a s PRO 453 CO 0.02 -1.83 1.15 -2.30 0.04 0.00 0.00 177.00 174.08 3d3a n PRO 454 N -3.27 1.58 -4.19 0.56 -0.02 -1.26 -4.68 135.00 123.72 3d3a n PRO 454 Ca 0.13 0.56 -0.27 0.00 -2.02 0.00 0.00 63.50 61.89 3d3a n PRO 454 Cb 0.60 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.97 3d3a n PRO 454 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3d3a s LEU 455 N 0.16 3.32 0.08 2.45 1.43 -0.66 -4.91 118.68 120.56 3d3a s LEU 455 Ca 0.62 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 3d3a s LEU 455 Cb -0.69 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 3d3a s LEU 455 CO 0.57 0.11 0.15 -0.54 0.23 0.00 0.00 176.35 176.88 3d3a s LYS 456 N -2.76 3.17 0.21 1.70 -0.14 -1.26 -0.66 119.74 120.00 3d3a s LYS 456 Ca 0.27 -0.57 -0.32 0.00 -1.36 0.00 0.00 55.97 53.98 3d3a s LYS 456 Cb -0.10 -2.89 -0.14 0.00 -1.68 0.00 0.00 37.83 33.03 3d3a s LYS 456 CO 0.18 0.58 1.45 -1.91 -0.76 0.00 0.00 175.35 174.89 3d3a n GLU 457 N 0.31 2.02 -0.33 1.68 4.07 -1.26 -1.87 120.64 125.25 3d3a n GLU 457 Ca -0.07 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.75 3d3a n GLU 457 Cb 0.51 -2.41 0.00 0.00 -0.06 0.00 0.00 31.44 29.49 3d3a n GLU 457 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3d3a n GLY 458 N 2.52 1.49 3.52 8.31 0.00 -0.28 -4.90 105.19 115.84 3d3a n GLY 458 Ca 0.13 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 3d3a n GLY 458 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d3a n ASP 459 N 0.00 0.39 -4.67 1.61 9.92 -0.78 -4.47 116.55 118.55 3d3a n ASP 459 Ca 0.00 1.15 -0.40 0.00 -0.53 0.00 0.00 54.79 55.01 3d3a n ASP 459 Cb 0.00 -1.12 -0.06 0.00 -0.64 0.00 0.00 41.12 39.30 3d3a n ASP 459 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3d3a s ARG 460 N -0.84 4.24 -0.27 -1.24 3.52 -1.26 -1.48 118.95 121.62 3d3a s ARG 460 Ca 0.68 0.67 -0.08 0.00 -0.13 0.00 0.00 55.73 56.87 3d3a s ARG 460 Cb -0.88 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 28.93 3d3a s ARG 460 CO 0.56 -0.21 0.10 -1.17 -0.81 0.00 0.00 175.30 173.78 3d3a s LEU 461 N 1.79 3.71 -0.16 -0.88 2.96 -0.06 -0.61 118.68 125.43 3d3a s LEU 461 Ca 0.30 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3d3a s LEU 461 Cb -0.16 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 3d3a s LEU 461 CO 0.11 -0.10 -0.13 -1.81 -1.32 0.00 0.00 176.35 173.10 3d3a s ASP 462 N 1.61 3.80 -0.36 3.68 1.01 0.04 -1.74 116.67 124.70 3d3a s ASP 462 Ca 0.05 -0.44 0.03 0.00 0.71 0.00 0.00 52.55 52.91 3d3a s ASP 462 Cb -0.16 -1.59 0.10 0.00 1.01 0.00 0.00 42.92 42.28 3d3a s ASP 462 CO 0.05 0.08 0.09 -0.63 0.21 0.00 0.00 175.17 174.96 3d3a s ILE 463 N 0.86 2.11 -0.41 0.77 1.01 0.16 0.07 121.20 125.77 3d3a s ILE 463 Ca -0.04 -2.35 -0.21 0.00 0.00 0.00 0.00 60.65 58.05 3d3a s ILE 463 Cb -0.15 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.78 3d3a s ILE 463 CO -0.00 -0.64 0.65 -0.22 0.00 0.00 0.00 174.94 174.72 3d3a s LEU 464 N 0.83 4.39 -0.29 2.97 2.96 -0.34 -0.96 118.68 128.24 3d3a s LEU 464 Ca 0.12 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 3d3a s LEU 464 Cb -0.20 -2.76 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 3d3a s LEU 464 CO -0.09 -0.71 0.10 -0.69 -1.32 0.00 0.00 176.35 173.64 3d3a s VAL 465 N 2.80 4.25 -0.15 1.68 1.01 0.42 -1.29 120.40 129.13 3d3a s VAL 465 Ca 0.24 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 3d3a s VAL 465 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3d3a s VAL 465 CO 0.18 0.15 0.46 -0.70 0.00 0.00 0.00 175.10 175.19 3d3a s GLU 466 N 1.57 4.28 0.56 2.72 2.12 0.82 -0.65 118.70 130.12 3d3a s GLU 466 Ca 0.04 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.76 3d3a s GLU 466 Cb -0.16 -3.48 0.03 0.00 0.26 0.00 0.00 34.13 30.78 3d3a s GLU 466 CO 0.04 0.07 0.79 0.00 -0.54 0.00 0.00 175.26 175.62 3d3a s ALA 467 N 0.92 3.78 0.47 6.30 0.00 -0.08 -1.91 121.76 131.24 3d3a s ALA 467 Ca 0.24 -1.23 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 3d3a s ALA 467 Cb -0.15 -2.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.74 3d3a s ALA 467 CO 0.09 -0.77 1.13 0.20 0.00 0.00 0.00 175.76 176.41 3d3a s GLY 469 N -4.41 2.72 0.00 0.00 0.00 -1.26 -4.44 107.32 99.94 3d3a s GLY 469 Ca 0.56 0.85 0.00 0.00 0.00 0.00 0.00 44.72 46.13 3d3a s GLY 469 CO 0.39 1.26 0.00 0.54 0.00 0.00 0.00 173.10 175.30 3d3a n ARG 470 N -0.64 0.00 0.00 2.90 1.74 -1.26 -4.49 116.66 114.91 3d3a n ARG 470 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3d3a n ARG 470 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 3d3a n ARG 470 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3d3a n ASN 472 N 0.00 0.00 -4.15 0.55 0.23 -0.98 -3.84 115.26 107.08 3d3a n ASN 472 Ca 0.00 -1.00 -0.20 0.00 -0.53 0.00 0.00 54.58 52.85 3d3a n ASN 472 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 3d3a n ASN 472 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3d3a s PHE 473 N 0.00 1.23 0.00 -2.53 5.36 -1.26 -4.30 117.98 116.47 3d3a s PHE 473 Ca 0.00 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 3d3a s PHE 473 Cb 0.00 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.96 3d3a s PHE 473 CO 0.00 0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 3d3a n GLY 474 N 1.85 2.22 0.00 13.12 0.00 -1.26 -1.21 105.19 119.90 3d3a n GLY 474 Ca -0.18 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.53 3d3a n GLY 474 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d3a n LYS 475 N 10.83 0.76 0.30 1.61 4.76 -1.26 -3.21 118.16 131.95 3d3a n LYS 475 Ca 0.00 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.62 3d3a n LYS 475 Cb 0.00 -1.39 0.92 0.00 -1.84 0.00 0.00 35.03 32.72 3d3a n LYS 475 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3d3a h GLY 476 N 3.95 0.00 2.00 0.72 0.00 -1.56 -2.35 103.07 105.83 3d3a h GLY 476 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d3a h GLY 476 CO 0.00 0.00 -0.00 0.16 0.00 0.00 0.00 176.54 176.70 3d3a h ILE 477 N 0.00 0.18 -1.03 2.60 3.07 -1.70 -3.09 117.51 117.54 3d3a h ILE 477 Ca -0.00 -0.01 -0.73 0.00 1.55 0.00 0.00 64.86 65.68 3d3a h ILE 477 Cb 0.25 1.00 -0.11 0.00 -0.27 0.00 0.00 36.82 37.69 3d3a h ILE 477 CO 0.00 0.00 2.27 -1.22 -1.05 0.00 0.00 178.15 178.15 3d3a n TYR 478 N -3.34 3.75 -3.93 0.16 4.01 -0.89 -4.87 117.16 112.05 3d3a n TYR 478 Ca -0.03 -2.96 -0.30 0.00 -0.16 0.00 0.00 57.90 54.45 3d3a n TYR 478 Cb 0.08 -2.28 -0.14 0.00 -0.31 0.00 0.00 39.34 36.68 3d3a n TYR 478 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3d3a s ASP 479 N 2.43 4.39 0.09 7.72 2.15 -1.17 -5.10 116.67 127.19 3d3a s ASP 479 Ca 0.45 -2.54 -0.25 0.00 0.43 0.00 0.00 52.55 50.64 3d3a s ASP 479 Cb 0.08 -1.51 -0.07 0.00 -0.30 0.00 0.00 42.92 41.12 3d3a s ASP 479 CO -0.01 -0.31 0.75 0.26 -0.17 0.00 0.00 175.17 175.69 3d3a s TRP 480 N 0.38 3.81 0.44 -5.34 0.51 -1.26 -4.93 118.94 112.55 3d3a s TRP 480 Ca 0.14 1.52 0.08 0.00 -2.12 0.00 0.00 56.10 55.72 3d3a s TRP 480 Cb -0.23 -2.77 0.00 0.00 -0.81 0.00 0.00 33.47 29.67 3d3a s TRP 480 CO -0.05 0.39 0.49 0.15 -0.51 0.00 0.00 176.95 177.42 3d3a s LYS 481 N -0.57 2.60 1.33 4.98 -0.14 -1.26 -4.80 119.74 121.88 3d3a s LYS 481 Ca 0.36 -1.47 0.00 0.00 -1.36 0.00 0.00 55.97 53.51 3d3a s LYS 481 Cb -0.21 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 3d3a s LYS 481 CO 0.24 -0.31 0.00 0.41 -0.76 0.00 0.00 175.35 174.93 3d3a n GLY 482 N -1.73 0.23 3.58 -3.33 0.00 -1.25 -4.51 105.19 98.17 3d3a n GLY 482 Ca 0.06 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 3d3a n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d3a s ILE 483 N 0.00 5.29 0.19 -0.61 1.01 -1.26 0.99 121.20 126.81 3d3a s ILE 483 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.81 3d3a s ILE 483 Cb 0.00 -3.59 -0.12 0.00 0.01 0.00 0.00 42.46 38.76 3d3a s ILE 483 CO 0.00 0.18 1.43 0.71 0.00 0.00 0.00 174.94 177.26 3d3a h THR 484 N 5.40 1.49 0.00 2.92 1.35 -1.43 -3.32 112.91 119.32 3d3a h THR 484 Ca -0.34 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.00 3d3a h THR 484 Cb 1.18 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 3d3a h THR 484 CO 0.58 0.73 -0.32 1.21 -0.25 0.00 0.00 175.52 177.47 3d3a n GLU 485 N -3.68 0.00 -3.73 4.72 2.13 -1.08 -4.70 120.64 114.28 3d3a n GLU 485 Ca -0.03 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.78 3d3a n GLU 485 Cb 0.76 -0.29 -0.00 0.00 0.27 0.00 0.00 31.44 32.17 3d3a n GLU 485 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3d3a s LYS 486 N -2.00 0.88 -0.07 5.31 -2.85 -1.25 -4.72 119.74 115.04 3d3a s LYS 486 Ca 0.00 -0.50 0.01 0.00 -1.00 0.00 0.00 55.97 54.48 3d3a s LYS 486 Cb 0.00 0.29 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 3d3a s LYS 486 CO 0.00 -0.40 -0.09 0.08 0.10 0.00 0.00 175.35 175.03 3d3a s VAL 487 N -2.76 0.97 0.05 1.79 1.01 -1.26 0.20 120.40 120.40 3d3a s VAL 487 Ca 0.15 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.87 3d3a s VAL 487 Cb 0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3d3a s VAL 487 CO 0.00 0.33 -0.26 -1.61 0.00 0.00 0.00 175.10 173.56 3d3a s GLU 488 N 0.95 1.73 -0.14 2.72 2.02 0.18 -0.68 118.70 125.48 3d3a s GLU 488 Ca -0.10 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.78 3d3a s GLU 488 Cb -0.15 -1.93 -0.01 0.00 0.10 0.00 0.00 34.13 32.15 3d3a s GLU 488 CO 0.00 0.50 -0.14 -1.17 0.02 0.00 0.00 175.26 174.47 3d3a s LEU 489 N -1.29 2.59 -0.11 1.80 2.96 -0.14 -0.40 118.68 124.09 3d3a s LEU 489 Ca 0.11 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3d3a s LEU 489 Cb -0.10 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 3d3a s LEU 489 CO 0.02 0.12 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.45 3d3a s GLN 490 N 0.59 3.15 0.09 1.98 0.74 0.20 -1.39 119.66 125.01 3d3a s GLN 490 Ca -0.08 -0.71 0.01 0.00 0.05 0.00 0.00 55.36 54.63 3d3a s GLN 490 Cb -0.16 -2.54 -0.01 0.00 1.10 0.00 0.00 33.01 31.41 3d3a s GLN 490 CO 0.03 0.30 0.05 -1.13 -0.55 0.00 0.00 175.29 174.00 3d3a n SER 491 N 3.24 0.50 0.02 6.67 3.41 -0.00 -1.79 113.62 125.67 3d3a n SER 491 Ca -0.18 -1.53 0.06 0.00 -0.26 0.00 0.00 58.87 56.96 3d3a n SER 491 Cb 0.53 0.32 0.29 0.00 -0.26 0.00 0.00 64.21 65.08 3d3a n SER 491 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3d3a n ASP 492 N -2.26 0.10 -0.96 4.04 5.75 -1.26 -1.72 116.55 120.25 3d3a n ASP 492 Ca 0.00 0.53 0.12 0.00 -0.01 0.00 0.00 54.79 55.42 3d3a n ASP 492 Cb 0.15 -0.55 0.12 0.00 -1.03 0.00 0.00 41.12 39.81 3d3a n ASP 492 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3d3a n LYS 493 N -1.61 2.24 0.00 0.11 5.02 -1.26 -5.08 118.16 117.58 3d3a n LYS 493 Ca 0.03 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 3d3a n LYS 493 Cb 0.14 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3d3a n LYS 493 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d3a n GLY 494 N 1.32 0.27 3.51 0.72 0.00 -0.70 -5.04 105.19 105.27 3d3a n GLY 494 Ca 0.14 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 3d3a n GLY 494 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3a s VAL 495 N 0.00 3.40 0.05 1.61 1.01 -1.26 -0.82 120.40 124.38 3d3a s VAL 495 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3d3a s VAL 495 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3d3a s VAL 495 CO 0.00 0.58 -0.04 -1.83 0.00 0.00 0.00 175.10 173.81 3d3a s GLU 496 N -0.54 0.54 0.37 2.72 -1.05 -0.49 -4.98 118.70 115.26 3d3a s GLU 496 Ca 0.08 -1.02 -0.24 0.00 -0.15 0.00 0.00 54.97 53.64 3d3a s GLU 496 Cb -0.12 0.10 -0.10 0.00 -0.44 0.00 0.00 34.13 33.58 3d3a s GLU 496 CO 0.02 -0.07 0.96 -0.51 0.95 0.00 0.00 175.26 176.61 3d3a s LEU 497 N -2.40 4.17 -0.28 1.83 1.43 -1.26 -0.96 118.68 121.21 3d3a s LEU 497 Ca -0.01 1.82 -0.13 0.00 -1.03 0.00 0.00 54.13 54.78 3d3a s LEU 497 Cb 0.01 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 41.97 3d3a s LEU 497 CO -0.06 -0.23 0.30 -0.69 0.23 0.00 0.00 176.35 175.89 3d3a s VAL 498 N -1.81 5.23 0.51 -1.59 1.01 0.14 -4.84 120.40 119.05 3d3a s VAL 498 Ca 0.55 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.92 3d3a s VAL 498 Cb -0.16 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 3d3a s VAL 498 CO 0.21 0.19 0.02 0.29 0.00 0.00 0.00 175.10 175.80 3d3a n LYS 499 N 5.22 0.70 -2.18 2.72 5.02 -1.26 -4.64 118.16 123.74 3d3a n LYS 499 Ca -0.11 -3.82 -0.02 0.00 -2.02 0.00 0.00 58.31 52.35 3d3a n LYS 499 Cb 0.51 1.16 0.00 0.00 -0.02 0.00 0.00 35.03 36.68 3d3a n LYS 499 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3d3a n ASP 500 N -1.34 -5.22 -4.47 4.39 8.00 0.15 -4.88 116.55 113.18 3d3a n ASP 500 Ca -0.20 0.59 -0.30 0.00 0.71 0.00 0.00 54.79 55.59 3d3a n ASP 500 Cb 0.66 -3.34 -0.12 0.00 -0.02 0.00 0.00 41.12 38.30 3d3a n ASP 500 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3d3a s TRP 501 N -1.25 2.53 -0.32 1.24 0.52 0.12 -4.57 118.94 117.21 3d3a s TRP 501 Ca 0.05 -0.27 -0.07 0.00 0.02 0.00 0.00 56.10 55.83 3d3a s TRP 501 Cb -0.01 -1.39 0.02 0.00 -1.15 0.00 0.00 33.47 30.94 3d3a s TRP 501 CO 0.42 0.32 0.11 -0.65 0.02 0.00 0.00 176.95 177.17 3d3a s GLN 502 N -1.84 2.95 -0.23 4.98 -0.21 0.81 -1.00 119.66 125.12 3d3a s GLN 502 Ca 0.16 -0.96 -0.07 0.00 0.02 0.00 0.00 55.36 54.51 3d3a s GLN 502 Cb -0.10 -3.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.42 3d3a s GLN 502 CO 0.08 -0.53 0.06 0.08 -2.12 0.00 0.00 175.29 172.85 3d3a s VAL 503 N 1.49 4.28 -0.30 1.09 1.01 0.25 -1.03 120.40 127.20 3d3a s VAL 503 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3d3a s VAL 503 Cb -0.18 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3d3a s VAL 503 CO 0.03 0.37 0.03 -0.31 0.00 0.00 0.00 175.10 175.22 3d3a s TYR 504 N 1.39 3.19 -0.26 5.22 2.02 -0.06 -0.10 117.35 128.75 3d3a s TYR 504 Ca 0.05 -1.50 -0.24 0.00 -0.37 0.00 0.00 57.07 55.01 3d3a s TYR 504 Cb -0.15 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.24 3d3a s TYR 504 CO 0.03 -0.72 0.79 0.95 -1.57 0.00 0.00 175.55 175.03 3d3a s THR 505 N 1.36 4.84 -0.57 -0.71 -4.23 -1.26 -0.93 115.64 114.14 3d3a s THR 505 Ca -0.02 1.41 -0.11 0.00 -1.18 0.00 0.00 61.69 61.80 3d3a s THR 505 Cb -0.18 -4.10 0.15 0.00 1.34 0.00 0.00 72.50 69.70 3d3a s THR 505 CO -0.00 -0.11 0.47 -0.63 -0.54 0.00 0.00 174.62 173.81 3d3a s ILE 506 N 2.84 4.64 0.84 2.99 -1.09 0.45 -4.87 121.20 126.99 3d3a s ILE 506 Ca 0.33 -1.99 -0.11 0.00 -2.23 0.00 0.00 60.65 56.65 3d3a s ILE 506 Cb -0.15 -3.99 0.09 0.00 -1.58 0.00 0.00 42.46 36.83 3d3a s ILE 506 CO 0.09 -0.86 1.10 -2.16 -1.23 0.00 0.00 174.94 171.88 3d3a s PRO 507 N 1.02 1.73 0.01 2.79 0.04 -1.26 -1.44 135.00 137.88 3d3a s PRO 507 Ca 0.09 1.09 0.25 0.00 0.04 0.00 0.00 61.00 62.47 3d3a s PRO 507 Cb -0.23 -1.84 0.54 0.00 0.04 0.00 0.00 34.50 33.01 3d3a s PRO 507 CO -0.02 -1.99 1.44 1.33 0.04 0.00 0.00 177.00 177.80 3d3a n VAL 508 N -3.75 0.03 -1.49 -0.36 0.24 -1.25 -4.86 118.33 106.88 3d3a n VAL 508 Ca 0.09 -0.02 -0.51 0.00 -2.04 0.00 0.00 64.34 61.86 3d3a n VAL 508 Cb 0.54 0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 33.03 3d3a n VAL 508 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3d3a n ASP 509 N -1.55 0.05 -0.15 -1.34 8.00 -1.26 -4.85 116.55 115.45 3d3a n ASP 509 Ca 0.05 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.69 3d3a n ASP 509 Cb 0.34 -1.05 0.25 0.00 -0.02 0.00 0.00 41.12 40.64 3d3a n ASP 509 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3d3a h TYR 510 N 2.28 0.84 -0.94 1.24 3.20 -1.93 -2.14 116.97 119.53 3d3a h TYR 510 Ca -0.39 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.56 3d3a h TYR 510 Cb 1.40 -0.27 -0.08 0.00 1.54 0.00 0.00 36.73 39.32 3d3a h TYR 510 CO 0.50 0.61 0.57 0.66 -1.64 0.00 0.00 178.16 178.86 3d3a h SER 511 N 0.85 0.84 -0.41 -2.11 4.64 -1.96 0.33 113.55 115.73 3d3a h SER 511 Ca 0.21 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.46 3d3a h SER 511 Cb 0.08 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3d3a h SER 511 CO -0.03 0.46 -0.20 0.15 -0.87 0.00 0.00 176.83 176.35 3d3a h PHE 512 N 0.93 0.99 -0.01 4.77 3.57 -1.75 -1.85 116.94 123.59 3d3a h PHE 512 Ca 0.45 -0.25 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 3d3a h PHE 512 Cb 0.42 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3d3a h PHE 512 CO -0.03 1.02 -0.36 0.00 -2.23 0.00 0.00 178.31 176.72 3d3a h ALA 513 N 0.82 1.38 0.12 2.41 0.00 -0.99 -3.08 119.26 119.93 3d3a h ALA 513 Ca 0.09 -0.33 -0.28 0.00 0.00 0.00 0.00 54.91 54.39 3d3a h ALA 513 Cb 0.76 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.52 3d3a h ALA 513 CO 0.06 0.46 -1.17 -0.09 0.00 0.00 0.00 179.25 178.51 3d3a h ARG 514 N 0.02 0.58 -5.11 0.00 9.65 -0.84 -3.39 114.38 115.30 3d3a h ARG 514 Ca 0.00 -0.79 -0.69 0.00 -1.10 0.00 0.00 59.98 57.40 3d3a h ARG 514 Cb 0.65 0.26 -0.06 0.00 -1.39 0.00 0.00 29.97 29.43 3d3a h ARG 514 CO 0.05 1.35 2.57 -3.47 2.80 0.00 0.00 179.97 183.27 3d3a n ASP 515 N -3.85 4.49 -4.03 -3.80 2.03 -0.71 -4.88 116.55 105.80 3d3a n ASP 515 Ca -0.14 -2.89 -0.08 0.00 0.52 0.00 0.00 54.79 52.21 3d3a n ASP 515 Cb 0.96 -1.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.54 3d3a n ASP 515 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3d3a s LYS 516 N 3.84 0.50 -1.29 -0.67 -0.14 -1.26 -4.93 119.74 115.79 3d3a s LYS 516 Ca 0.51 -0.94 -0.14 0.00 -1.36 0.00 0.00 55.97 54.04 3d3a s LYS 516 Cb 0.08 0.18 0.12 0.00 -1.68 0.00 0.00 37.83 36.53 3d3a s LYS 516 CO 0.01 -0.09 1.73 1.04 -0.76 0.00 0.00 175.35 177.28 3d3a n GLN 517 N 0.74 3.28 -2.06 1.68 1.13 -1.26 -4.99 117.38 115.91 3d3a n GLN 517 Ca -0.18 -3.42 -0.40 0.00 -1.94 0.00 0.00 57.00 51.05 3d3a n GLN 517 Cb 0.58 -3.21 -0.01 0.00 0.11 0.00 0.00 30.24 27.72 3d3a n GLN 517 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3d3a s TYR 518 N 2.46 2.88 0.18 1.08 2.02 -1.26 -4.57 117.35 120.14 3d3a s TYR 518 Ca 0.46 1.40 0.04 0.00 -0.37 0.00 0.00 57.07 58.60 3d3a s TYR 518 Cb 0.04 -3.70 -0.01 0.00 -0.40 0.00 0.00 41.96 37.89 3d3a s TYR 518 CO 0.01 -2.07 0.17 1.63 -1.57 0.00 0.00 175.55 173.72 3d3a n LYS 519 N 0.36 0.24 0.00 -0.62 5.02 -1.26 -4.96 118.16 116.94 3d3a n LYS 519 Ca 0.02 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 3d3a n LYS 519 Cb 0.43 1.49 0.00 0.00 -0.02 0.00 0.00 35.03 36.92 3d3a n LYS 519 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3d3a n GLN 520 N -0.34 0.00 0.00 1.97 6.02 -1.26 -4.20 117.38 119.56 3d3a n GLN 520 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3d3a n GLN 520 Cb 0.33 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.59 3d3a n GLN 520 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3d3a n ASN 526 N 11.14 0.00 -3.97 1.08 2.85 -0.99 -4.84 115.26 120.52 3d3a n ASN 526 Ca 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.31 3d3a n ASN 526 Cb 0.00 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 3d3a n ASN 526 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3d3a s GLN 527 N 0.00 1.44 0.22 1.20 -2.07 -1.26 -4.79 119.66 114.39 3d3a s GLN 527 Ca 0.00 -1.79 -0.32 0.00 -1.82 0.00 0.00 55.36 51.43 3d3a s GLN 527 Cb 0.00 0.15 -0.12 0.00 -1.09 0.00 0.00 33.01 31.95 3d3a s GLN 527 CO 0.00 -0.45 1.70 -2.14 -1.32 0.00 0.00 175.29 173.08 3d3a s PRO 528 N -3.91 4.13 0.06 9.60 0.02 -1.26 -4.12 135.00 139.51 3d3a s PRO 528 Ca 0.38 2.60 -0.24 0.00 0.02 0.00 0.00 61.00 63.76 3d3a s PRO 528 Cb 0.06 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 31.56 3d3a s PRO 528 CO 0.17 -0.73 0.56 0.00 -0.33 0.00 0.00 177.00 176.67 3d3a s ALA 529 N 1.04 -1.46 -0.10 -1.55 0.00 -0.30 -1.18 121.76 118.20 3d3a s ALA 529 Ca 0.73 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 53.24 3d3a s ALA 529 Cb -0.49 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 3d3a s ALA 529 CO 0.34 -0.55 0.34 0.71 0.00 0.00 0.00 175.76 176.60 3d3a s TYR 530 N -2.56 3.57 0.06 0.00 2.02 -0.15 -1.33 117.35 118.95 3d3a s TYR 530 Ca -0.05 0.76 0.08 0.00 -0.37 0.00 0.00 57.07 57.49 3d3a s TYR 530 Cb -0.01 -2.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 3d3a s TYR 530 CO -0.02 0.40 -0.19 0.71 -1.57 0.00 0.00 175.55 174.88 3d3a s TYR 531 N -0.14 2.54 0.00 2.71 2.02 0.17 -0.83 117.35 123.82 3d3a s TYR 531 Ca 0.20 -0.27 -0.09 0.00 -0.37 0.00 0.00 57.07 56.55 3d3a s TYR 531 Cb -0.14 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 3d3a s TYR 531 CO 0.08 0.27 0.17 0.50 -1.57 0.00 0.00 175.55 175.00 3d3a s ARG 532 N -1.57 0.52 -0.13 -0.62 3.52 -0.53 -0.42 118.95 119.72 3d3a s ARG 532 Ca 0.15 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.08 3d3a s ARG 532 Cb -0.10 0.22 0.12 0.00 -1.56 0.00 0.00 34.95 33.63 3d3a s ARG 532 CO 0.06 -0.13 0.98 0.45 -0.81 0.00 0.00 175.30 175.85 3d3a s SER 533 N -1.40 -0.36 0.15 -2.12 0.15 -0.82 -1.72 113.70 107.58 3d3a s SER 533 Ca -0.14 0.31 0.09 0.00 0.70 0.00 0.00 55.95 56.91 3d3a s SER 533 Cb -0.07 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 3d3a s SER 533 CO 0.02 -0.40 -0.17 0.42 1.20 0.00 0.00 173.24 174.31 3d3a s THR 534 N -1.57 2.82 0.00 6.45 -4.23 -1.26 -1.11 115.64 116.75 3d3a s THR 534 Ca -0.00 -1.64 -0.09 0.00 -1.18 0.00 0.00 61.69 58.77 3d3a s THR 534 Cb -0.01 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.51 3d3a s THR 534 CO -0.01 0.01 0.18 0.72 -0.54 0.00 0.00 174.62 174.98 3d3a s PHE 535 N -1.37 -0.01 0.01 3.99 -0.12 0.77 -4.94 117.98 116.31 3d3a s PHE 535 Ca 0.20 -0.05 -0.06 0.00 -0.05 0.00 0.00 56.93 56.98 3d3a s PHE 535 Cb -0.10 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.23 3d3a s PHE 535 CO 0.11 -0.32 0.25 1.21 -0.05 0.00 0.00 175.22 176.43 3d3a s ASN 536 N -1.40 6.47 -0.02 1.98 3.84 -1.25 0.56 114.94 125.12 3d3a s ASN 536 Ca -0.14 0.52 0.04 0.00 0.21 0.00 0.00 52.86 53.48 3d3a s ASN 536 Cb -0.07 -2.07 -0.00 0.00 -0.55 0.00 0.00 41.25 38.55 3d3a s ASN 536 CO 0.02 0.25 -0.13 -0.76 -2.79 0.00 0.00 177.10 173.69 3d3a s LEU 537 N -1.81 1.93 -0.01 3.21 1.43 0.13 -4.92 118.68 118.65 3d3a s LEU 537 Ca 0.28 -0.25 0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3d3a s LEU 537 Cb -0.13 -0.71 -0.14 0.00 0.03 0.00 0.00 46.19 45.24 3d3a s LEU 537 CO 0.17 0.13 0.34 0.59 0.23 0.00 0.00 176.35 177.81 3d3a n ASN 538 N 2.99 1.51 -3.84 2.29 3.02 -1.26 0.85 115.26 120.81 3d3a n ASN 538 Ca -0.16 -0.37 -0.13 0.00 -0.03 0.00 0.00 54.58 53.89 3d3a n ASN 538 Cb 0.54 1.25 -0.14 0.00 -0.61 0.00 0.00 39.78 40.82 3d3a n ASN 538 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3d3a s GLU 539 N -2.37 0.03 0.27 3.52 2.12 -1.26 -4.97 118.70 116.04 3d3a s GLU 539 Ca -0.00 0.08 0.07 0.00 0.36 0.00 0.00 54.97 55.47 3d3a s GLU 539 Cb 0.07 -0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 3d3a s GLU 539 CO 0.44 -0.03 0.28 -0.51 -0.54 0.00 0.00 175.26 174.90 3d3a s LEU 540 N 0.21 3.91 0.00 2.70 1.43 -1.26 -5.02 118.68 120.65 3d3a s LEU 540 Ca -0.02 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3d3a s LEU 540 Cb -0.02 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.71 3d3a s LEU 540 CO -0.01 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3d3a n GLY 541 N -1.31 1.91 3.78 -3.19 0.00 -1.26 -4.81 105.19 100.30 3d3a n GLY 541 Ca -0.06 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 3d3a n GLY 541 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d3a s ASP 542 N 0.00 6.33 0.11 1.61 1.01 0.14 -3.60 116.67 122.28 3d3a s ASP 542 Ca 0.00 2.14 -0.06 0.00 0.71 0.00 0.00 52.55 55.34 3d3a s ASP 542 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3d3a s ASP 542 CO 0.00 -0.79 0.14 0.28 0.21 0.00 0.00 175.17 175.01 3d3a s THR 543 N -1.68 0.13 -0.26 -1.27 -1.32 -0.74 -0.69 115.64 109.82 3d3a s THR 543 Ca 0.63 -1.51 0.02 0.00 -1.21 0.00 0.00 61.69 59.62 3d3a s THR 543 Cb -0.24 -1.65 0.07 0.00 -1.51 0.00 0.00 72.50 69.17 3d3a s THR 543 CO 0.29 -0.59 -0.05 -0.36 -2.21 0.00 0.00 174.62 171.69 3d3a s PHE 544 N -3.94 2.80 0.03 9.09 0.08 0.10 -0.65 117.98 125.49 3d3a s PHE 544 Ca 0.12 -2.08 -0.30 0.00 0.12 0.00 0.00 56.93 54.79 3d3a s PHE 544 Cb 0.06 -1.85 -0.07 0.00 -0.57 0.00 0.00 43.02 40.59 3d3a s PHE 544 CO -0.05 -0.83 1.58 -0.51 -0.10 0.00 0.00 175.22 175.30 3d3a s LEU 545 N 1.25 4.34 0.00 -0.37 1.43 -0.31 -0.43 118.68 124.59 3d3a s LEU 545 Ca -0.04 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3d3a s LEU 545 Cb -0.19 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3d3a s LEU 545 CO -0.07 -0.84 0.00 -3.20 0.23 0.00 0.00 176.35 172.47 3d3a n ASN 546 N 5.77 0.00 0.00 2.29 2.85 0.21 -1.21 115.26 125.17 3d3a n ASN 546 Ca 0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 3d3a n ASN 546 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 3d3a n ASN 546 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3d3a n ASN 549 N 0.00 0.00 -4.82 1.20 3.02 -1.26 -4.11 115.26 109.28 3d3a n ASN 549 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 3d3a n ASN 549 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3d3a n ASN 549 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3d3a s TRP 550 N -3.13 3.06 0.00 3.10 0.52 -1.26 -0.01 118.94 121.21 3d3a s TRP 550 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 56.10 55.97 3d3a s TRP 550 Cb 0.00 -1.46 0.00 0.00 -1.15 0.00 0.00 33.47 30.86 3d3a s TRP 550 CO 0.00 0.47 0.00 -1.13 0.02 0.00 0.00 176.95 176.31 3d3a n SER 551 N -1.20 0.00 -3.59 2.95 3.41 -1.26 -4.15 113.62 109.78 3d3a n SER 551 Ca -0.07 0.19 -0.15 0.00 -0.26 0.00 0.00 58.87 58.59 3d3a n SER 551 Cb 0.58 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 3d3a n SER 551 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3d3a s LYS 552 N -0.62 0.86 0.00 4.33 2.20 -1.26 -0.56 119.74 124.69 3d3a s LYS 552 Ca 0.00 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 3d3a s LYS 552 Cb 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 3d3a s LYS 552 CO 0.00 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 3d3a n GLY 553 N 1.82 -0.45 3.57 5.54 0.00 -0.98 -4.28 105.19 110.41 3d3a n GLY 553 Ca -0.15 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 3d3a n GLY 553 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3a s VAL 555 N 0.00 0.00 -0.03 1.61 1.01 -0.80 -1.46 120.40 120.73 3d3a s VAL 555 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3d3a s VAL 555 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3d3a s VAL 555 CO 0.00 0.00 -0.12 0.26 0.00 0.00 0.00 175.10 175.24 3d3a s TRP 556 N -0.60 1.24 -0.14 5.22 0.51 -0.33 -0.83 118.94 124.01 3d3a s TRP 556 Ca -0.06 -0.33 -0.01 0.00 -2.12 0.00 0.00 56.10 53.58 3d3a s TRP 556 Cb -0.02 -0.86 0.03 0.00 -0.81 0.00 0.00 33.47 31.81 3d3a s TRP 556 CO 0.06 -0.13 -0.06 0.08 -0.51 0.00 0.00 176.95 176.39 3d3a s VAL 557 N 0.15 1.05 -1.51 4.03 1.01 -0.20 -1.09 120.40 123.84 3d3a s VAL 557 Ca -0.04 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 3d3a s VAL 557 Cb -0.10 -1.15 0.09 0.00 0.00 0.00 0.00 36.38 35.22 3d3a s VAL 557 CO 0.01 0.24 0.81 0.59 0.00 0.00 0.00 175.10 176.75 3d3a n ASN 558 N 4.91 -4.38 0.00 3.32 3.02 -0.06 -0.78 115.26 121.29 3d3a n ASN 558 Ca -0.12 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3d3a n ASN 558 Cb 0.49 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 3d3a n ASN 558 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d3a n GLY 559 N -1.50 1.88 3.77 7.41 0.00 -1.26 -5.02 105.19 110.46 3d3a n GLY 559 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3d3a n GLY 559 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d3a s HIS 560 N -2.93 3.66 -0.77 1.61 3.76 0.04 -4.88 115.29 115.78 3d3a s HIS 560 Ca 0.00 1.11 -0.24 0.00 -0.15 0.00 0.00 55.06 55.78 3d3a s HIS 560 Cb 0.00 -2.55 0.05 0.00 1.11 0.00 0.00 32.58 31.19 3d3a s HIS 560 CO 0.00 0.36 1.19 0.00 -0.85 0.00 0.00 174.74 175.44 3d3a s ALA 561 N -0.16 2.90 0.36 -1.40 0.00 -1.26 -1.03 121.76 121.17 3d3a s ALA 561 Ca 0.29 -1.75 0.18 0.00 0.00 0.00 0.00 51.96 50.68 3d3a s ALA 561 Cb -0.17 -4.16 0.96 0.00 0.00 0.00 0.00 23.12 19.75 3d3a s ALA 561 CO 0.15 -3.15 1.90 0.82 0.00 0.00 0.00 175.76 175.48 3d3a h ILE 562 N 6.11 0.99 0.00 0.00 5.03 -1.36 -1.01 117.51 127.27 3d3a h ILE 562 Ca -0.18 -1.02 0.00 0.00 -0.12 0.00 0.00 64.86 63.54 3d3a h ILE 562 Cb 1.05 1.58 0.00 0.00 -3.03 0.00 0.00 36.82 36.42 3d3a h ILE 562 CO 1.26 0.27 0.00 0.61 -0.68 0.00 0.00 178.15 179.61 3d3a n GLY 563 N -0.48 0.80 3.92 5.37 0.00 -1.24 -3.91 105.19 109.64 3d3a n GLY 563 Ca -0.02 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 3d3a n GLY 563 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d3a s ARG 564 N -0.89 3.54 0.06 1.61 0.52 -1.23 -1.90 118.95 120.66 3d3a s ARG 564 Ca 0.00 0.04 -0.06 0.00 -0.52 0.00 0.00 55.73 55.19 3d3a s ARG 564 Cb 0.00 -2.48 -0.01 0.00 0.52 0.00 0.00 34.95 32.97 3d3a s ARG 564 CO 0.00 -0.06 0.10 1.52 0.02 0.00 0.00 175.30 176.88 3d3a s TYR 565 N -2.55 0.26 -0.28 -0.53 -0.85 -0.53 -4.57 117.35 108.29 3d3a s TYR 565 Ca 0.45 -0.67 -0.12 0.00 -0.52 0.00 0.00 57.07 56.21 3d3a s TYR 565 Cb -0.10 -0.17 0.11 0.00 0.38 0.00 0.00 41.96 42.18 3d3a s TYR 565 CO 0.40 -0.44 0.64 -0.46 -1.52 0.00 0.00 175.55 174.18 3d3a s TRP 566 N -3.43 -1.18 0.58 -3.49 -0.11 -1.26 -2.31 118.94 107.74 3d3a s TRP 566 Ca 0.02 2.18 0.31 0.00 1.22 0.00 0.00 56.10 59.82 3d3a s TRP 566 Cb 0.04 0.70 1.38 0.00 -1.50 0.00 0.00 33.47 34.08 3d3a s TRP 566 CO -0.08 -0.59 1.74 1.05 -4.62 0.00 0.00 176.95 174.44 3d3a h GLU 567 N 7.59 0.00 0.00 5.86 4.11 -0.99 -1.01 114.58 130.14 3d3a h GLU 567 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 3d3a h GLU 567 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3d3a h GLU 567 CO 0.13 0.00 0.00 -0.84 0.07 0.00 0.00 179.01 178.37 3d3a h ILE 568 N 0.00 0.00 -0.30 -1.06 3.07 -1.84 -3.36 117.51 114.02 3d3a h ILE 568 Ca 0.37 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3d3a h ILE 568 Cb 1.88 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 39.69 3d3a h ILE 568 CO -0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3d3a n GLY 569 N -0.10 -0.77 0.32 0.16 0.00 -0.39 -1.92 105.19 102.49 3d3a n GLY 569 Ca 0.01 -1.17 0.21 0.00 0.00 0.00 0.00 46.02 45.07 3d3a n GLY 569 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d3a h PRO 570 N 0.00 0.00 -6.35 1.61 0.13 -1.75 -1.01 132.00 124.64 3d3a h PRO 570 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 3d3a h PRO 570 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3d3a h PRO 570 CO 0.00 0.00 0.23 -1.14 -0.23 0.00 0.00 178.00 176.86 3d3a s GLN 571 N -4.01 4.55 0.00 0.86 0.74 -1.26 -1.43 119.66 119.10 3d3a s GLN 571 Ca -0.03 1.18 0.00 0.00 0.05 0.00 0.00 55.36 56.56 3d3a s GLN 571 Cb 0.12 -3.39 0.00 0.00 1.10 0.00 0.00 33.01 30.84 3d3a s GLN 571 CO 0.43 0.20 0.00 1.04 -0.55 0.00 0.00 175.29 176.42 3d3a n GLN 572 N 3.03 4.94 -4.40 1.67 1.13 -0.36 -4.65 117.38 118.74 3d3a n GLN 572 Ca -0.00 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.80 3d3a n GLN 572 Cb 0.50 -0.39 -0.11 0.00 0.11 0.00 0.00 30.24 30.36 3d3a n GLN 572 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3d3a s THR 573 N -0.77 2.59 -0.16 5.09 -4.23 -1.20 -4.59 115.64 112.38 3d3a s THR 573 Ca 0.00 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3d3a s THR 573 Cb 0.00 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.57 3d3a s THR 573 CO 0.00 -0.20 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.93 3d3a s LEU 574 N -2.95 2.20 0.14 4.79 1.43 -0.35 -4.82 118.68 119.12 3d3a s LEU 574 Ca 0.24 -0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 52.44 3d3a s LEU 574 Cb -0.07 -1.49 -0.10 0.00 0.03 0.00 0.00 46.19 44.56 3d3a s LEU 574 CO 0.13 0.05 1.63 -0.47 0.23 0.00 0.00 176.35 177.92 3d3a s TYR 575 N 1.01 2.78 -0.24 0.29 5.04 -1.26 -1.17 117.35 123.79 3d3a s TYR 575 Ca -0.02 0.45 0.01 0.00 -2.44 0.00 0.00 57.07 55.07 3d3a s TYR 575 Cb -0.15 -3.98 0.06 0.00 0.35 0.00 0.00 41.96 38.24 3d3a s TYR 575 CO -0.06 -3.77 -0.06 0.08 -1.34 0.00 0.00 175.55 170.41 3d3a s VAL 576 N 1.73 1.63 0.20 3.14 1.01 0.17 -4.94 120.40 123.34 3d3a s VAL 576 Ca 0.73 -1.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 3d3a s VAL 576 Cb -0.43 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 3d3a s VAL 576 CO 0.32 -0.11 1.43 -2.84 0.00 0.00 0.00 175.10 173.90 3d3a s PRO 577 N 1.34 4.29 0.54 2.72 0.02 -1.26 -1.79 135.00 140.87 3d3a s PRO 577 Ca -0.06 2.22 0.25 0.00 0.02 0.00 0.00 61.00 63.43 3d3a s PRO 577 Cb -0.19 -3.16 1.43 0.00 0.02 0.00 0.00 34.50 32.59 3d3a s PRO 577 CO -0.06 -0.43 2.03 0.78 -0.33 0.00 0.00 177.00 178.98 3d3a h GLY 578 N 5.82 0.00 1.95 0.52 0.00 -1.90 0.14 103.07 109.60 3d3a h GLY 578 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3d3a h GLY 578 CO 0.82 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.36 3d3a n TRP 580 N -1.47 0.28 -4.01 0.00 8.01 0.49 -4.95 117.44 115.78 3d3a n TRP 580 Ca 0.03 -0.23 -0.22 0.00 -1.31 0.00 0.00 57.50 55.77 3d3a n TRP 580 Cb 0.12 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.31 29.37 3d3a n TRP 580 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3d3a s LEU 581 N -1.12 3.85 0.02 -0.99 1.43 -0.11 -4.68 118.68 117.08 3d3a s LEU 581 Ca 0.23 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3d3a s LEU 581 Cb 0.14 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 3d3a s LEU 581 CO 0.19 -0.12 0.02 -1.59 0.23 0.00 0.00 176.35 175.09 3d3a s LYS 582 N -3.90 0.41 0.22 1.70 -2.85 -1.26 -5.00 119.74 109.06 3d3a s LYS 582 Ca 0.35 -0.64 -0.31 0.00 -1.00 0.00 0.00 55.97 54.38 3d3a s LYS 582 Cb -0.08 0.15 -0.10 0.00 -2.06 0.00 0.00 37.83 35.74 3d3a s LYS 582 CO 0.26 -0.08 1.53 0.21 0.10 0.00 0.00 175.35 177.36 3d3a s LYS 583 N -1.81 4.22 0.33 1.78 2.20 -1.26 -4.48 119.74 120.72 3d3a s LYS 583 Ca -0.12 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 3d3a s LYS 583 Cb -0.07 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3d3a s LYS 583 CO -0.02 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 3d3a n GLY 584 N 2.88 0.99 3.69 5.54 0.00 0.25 -4.88 105.19 113.66 3d3a n GLY 584 Ca 0.10 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 3d3a n GLY 584 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d3a s GLU 585 N 0.00 4.41 0.07 1.61 2.12 -1.26 0.21 118.70 125.86 3d3a s GLU 585 Ca 0.00 1.23 0.10 0.00 0.36 0.00 0.00 54.97 56.66 3d3a s GLU 585 Cb 0.00 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 3d3a s GLU 585 CO 0.00 -0.25 -0.26 -0.80 -0.54 0.00 0.00 175.26 173.41 3d3a s ASN 586 N 1.07 3.23 -0.05 -1.70 0.01 0.19 -4.84 114.94 112.86 3d3a s ASN 586 Ca 0.45 -0.63 0.04 0.00 -0.71 0.00 0.00 52.86 52.00 3d3a s ASN 586 Cb -0.18 -0.28 -0.03 0.00 0.41 0.00 0.00 41.25 41.18 3d3a s ASN 586 CO 0.18 0.24 -0.15 -0.70 -1.51 0.00 0.00 177.10 175.15 3d3a s GLU 587 N -1.49 2.52 -0.04 -0.60 2.12 -1.26 -0.17 118.70 119.77 3d3a s GLU 587 Ca 0.13 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.76 3d3a s GLU 587 Cb -0.10 -2.37 0.02 0.00 0.26 0.00 0.00 34.13 31.94 3d3a s GLU 587 CO 0.03 0.61 -0.06 -1.50 -0.54 0.00 0.00 175.26 173.80 3d3a s ILE 588 N -0.69 0.62 -0.07 -3.70 2.07 -0.27 -0.89 121.20 118.28 3d3a s ILE 588 Ca 0.11 -0.19 0.03 0.00 -1.41 0.00 0.00 60.65 59.19 3d3a s ILE 588 Cb -0.11 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.87 3d3a s ILE 588 CO 0.01 0.23 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.47 3d3a s ILE 589 N 0.75 1.51 -0.11 2.00 1.01 -0.25 -1.94 121.20 124.17 3d3a s ILE 589 Ca -0.11 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.85 3d3a s ILE 589 Cb -0.14 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3d3a s ILE 589 CO 0.01 0.44 -0.19 -0.63 0.00 0.00 0.00 174.94 174.57 3d3a s ILE 590 N 0.40 1.71 -0.45 2.92 1.01 0.44 -1.19 121.20 126.03 3d3a s ILE 590 Ca -0.13 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3d3a s ILE 590 Cb -0.15 -1.52 0.05 0.00 0.01 0.00 0.00 42.46 40.84 3d3a s ILE 590 CO 0.05 0.48 0.40 -0.22 0.00 0.00 0.00 174.94 175.65 3d3a s LEU 591 N 0.72 5.29 0.00 2.97 2.96 -1.26 0.41 118.68 129.78 3d3a s LEU 591 Ca -0.11 -1.06 0.03 0.00 -0.22 0.00 0.00 54.13 52.76 3d3a s LEU 591 Cb -0.16 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.33 3d3a s LEU 591 CO 0.02 -0.60 0.25 -0.67 -1.32 0.00 0.00 176.35 174.02 3d3a n ASP 592 N 5.35 1.96 0.00 3.68 2.03 -0.44 -3.93 116.55 125.20 3d3a n ASP 592 Ca -0.11 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.13 3d3a n ASP 592 Cb 0.45 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 3d3a n ASP 592 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d3a n ALA 594 N -2.36 0.00 -0.03 -1.67 0.00 -1.26 -1.15 120.51 114.04 3d3a n ALA 594 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3d3a n ALA 594 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3d3a n ALA 594 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d3a n GLY 595 N -0.14 0.78 3.83 0.00 0.00 -1.26 -2.36 105.19 106.05 3d3a n GLY 595 Ca 0.00 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3d3a n GLY 595 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d3a s PRO 596 N -4.24 3.15 0.29 1.61 0.04 -1.26 -4.40 135.00 130.19 3d3a s PRO 596 Ca 0.00 0.92 0.10 0.00 0.04 0.00 0.00 61.00 62.06 3d3a s PRO 596 Cb 0.00 -2.02 0.43 0.00 0.04 0.00 0.00 34.50 32.95 3d3a s PRO 596 CO 0.00 -0.93 1.66 1.03 0.04 0.00 0.00 177.00 178.80 3d3a h SER 597 N -0.51 0.04 -3.27 6.66 0.87 -0.79 -3.44 113.55 113.10 3d3a h SER 597 Ca -0.44 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.06 3d3a h SER 597 Cb 1.20 -0.01 -0.23 0.00 -0.44 0.00 0.00 62.40 62.92 3d3a h SER 597 CO 0.58 0.58 -0.09 -0.75 -0.53 0.00 0.00 176.83 176.62 3d3a s LYS 598 N -3.78 0.60 -1.44 2.24 2.20 -1.24 -5.08 119.74 113.25 3d3a s LYS 598 Ca -0.02 1.00 -0.13 0.00 -0.36 0.00 0.00 55.97 56.46 3d3a s LYS 598 Cb 0.13 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.56 3d3a s LYS 598 CO 0.76 -0.14 2.45 0.00 -0.36 0.00 0.00 175.35 178.06 3d3a n ALA 599 N 3.97 6.02 -3.51 3.13 0.00 -1.26 -4.75 120.51 124.11 3d3a n ALA 599 Ca -0.20 -3.63 -0.18 0.00 0.00 0.00 0.00 53.44 49.43 3d3a n ALA 599 Cb 0.57 -3.47 -0.06 0.00 0.00 0.00 0.00 19.45 16.49 3d3a n ALA 599 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3d3a s GLU 600 N 3.00 1.06 0.29 0.00 -1.05 -1.26 -4.64 118.70 116.11 3d3a s GLU 600 Ca 0.55 0.22 0.02 0.00 -0.15 0.00 0.00 54.97 55.61 3d3a s GLU 600 Cb 0.15 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.30 3d3a s GLU 600 CO -0.06 -0.34 0.13 -0.08 0.95 0.00 0.00 175.26 175.86 3d3a s THR 601 N -1.32 0.44 0.02 1.83 -1.32 -0.59 -4.74 115.64 109.97 3d3a s THR 601 Ca -0.10 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.27 3d3a s THR 601 Cb -0.00 -2.56 0.01 0.00 -1.51 0.00 0.00 72.50 68.44 3d3a s THR 601 CO 0.09 0.00 0.23 -1.83 -2.21 0.00 0.00 174.62 170.90 3d3a s GLU 602 N -3.91 0.67 -0.29 7.08 -1.05 -1.26 0.52 118.70 120.46 3d3a s GLU 602 Ca 0.36 -0.47 -0.15 0.00 -0.15 0.00 0.00 54.97 54.56 3d3a s GLU 602 Cb 0.06 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 3d3a s GLU 602 CO 0.16 -0.19 0.39 0.20 0.95 0.00 0.00 175.26 176.76 3d3a s GLY 603 N -1.78 1.88 0.25 -3.83 0.00 0.20 -0.62 107.32 103.41 3d3a s GLY 603 Ca -0.09 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.78 3d3a s GLY 603 CO -0.01 1.01 0.33 1.08 0.00 0.00 0.00 173.10 175.52 3d3a s LEU 604 N 2.09 4.20 0.00 0.66 1.43 0.43 -0.38 118.68 127.11 3d3a s LEU 604 Ca 0.15 -0.01 0.25 0.00 -1.03 0.00 0.00 54.13 53.48 3d3a s LEU 604 Cb -0.16 -2.75 0.39 0.00 0.03 0.00 0.00 46.19 43.71 3d3a s LEU 604 CO 0.11 -0.08 1.35 0.54 0.23 0.00 0.00 176.35 178.49 3d3a n ARG 605 N -1.38 1.31 -4.14 1.70 1.74 -1.26 0.00 116.66 114.63 3d3a n ARG 605 Ca -0.08 -0.97 -0.15 0.00 -0.77 0.00 0.00 57.85 55.88 3d3a n ARG 605 Cb 0.57 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 30.40 3d3a n ARG 605 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3d3a s GLN 606 N -2.36 0.54 0.54 5.56 0.74 -1.26 -4.90 119.66 118.53 3d3a s GLN 606 Ca 0.24 -0.53 -0.07 0.00 0.05 0.00 0.00 55.36 55.06 3d3a s GLN 606 Cb 0.19 -0.43 -0.02 0.00 1.10 0.00 0.00 33.01 33.85 3d3a s GLN 606 CO 0.49 0.10 0.87 -1.25 -0.55 0.00 0.00 175.29 174.95 3d3a s PRO 607 N -0.93 3.38 -0.26 1.67 0.04 -1.26 -4.79 135.00 132.86 3d3a s PRO 607 Ca -0.04 0.27 0.02 0.00 0.04 0.00 0.00 61.00 61.29 3d3a s PRO 607 Cb -0.06 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.25 3d3a s PRO 607 CO 0.00 -0.42 -0.10 0.42 0.04 0.00 0.00 177.00 176.94 3d3a s ILE 608 N -2.91 2.32 0.00 0.56 1.01 -1.26 -4.95 121.20 115.98 3d3a s ILE 608 Ca 0.51 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3d3a s ILE 608 Cb -0.10 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.05 3d3a s ILE 608 CO 0.47 0.03 0.60 0.18 0.00 0.00 0.00 174.94 176.22 3d3a n LEU 609 N 4.49 1.01 -1.22 2.97 4.77 -1.26 -1.22 117.00 126.55 3d3a n LEU 609 Ca -0.15 -1.01 0.02 0.00 -0.03 0.00 0.00 56.01 54.85 3d3a n LEU 609 Cb 0.43 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.63 3d3a n LEU 609 CO 0.23 0.25 0.20 -0.90 -1.33 0.00 0.00 177.39 175.84 3d3a n ASP 610 N -0.18 1.69 -4.10 -1.43 5.75 -1.01 -4.13 116.55 113.13 3d3a n ASP 610 Ca 0.00 -3.03 -0.33 0.00 -0.01 0.00 0.00 54.79 51.42 3d3a n ASP 610 Cb 0.22 -0.42 -0.15 0.00 -1.03 0.00 0.00 41.12 39.74 3d3a n ASP 610 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3d3a s VAL 611 N -2.13 2.39 0.13 2.12 1.01 -0.52 -4.93 120.40 118.48 3d3a s VAL 611 Ca 0.37 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 60.88 3d3a s VAL 611 Cb 0.38 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3d3a s VAL 611 CO -0.10 0.00 0.21 -1.10 0.00 0.00 0.00 175.10 174.12 3d3a s GLN 612 N 1.16 3.23 0.03 2.72 -0.21 -1.26 -4.16 119.66 121.17 3d3a s GLN 612 Ca -0.07 -0.66 -0.07 0.00 0.02 0.00 0.00 55.36 54.58 3d3a s GLN 612 Cb -0.19 -2.86 -0.01 0.00 1.00 0.00 0.00 33.01 30.95 3d3a s GLN 612 CO -0.05 0.53 0.13 1.03 -2.12 0.00 0.00 175.29 174.81 3d3a s ARG 613 N -3.01 0.59 0.00 2.91 0.52 -0.81 -4.96 118.95 114.20 3d3a s ARG 613 Ca 0.33 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 3d3a s ARG 613 Cb -0.11 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.60 3d3a s ARG 613 CO 0.26 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.84 3d3a n GLY 614 N 0.88 -1.34 3.76 -3.53 0.00 -1.26 -4.41 105.19 99.29 3d3a n GLY 614 Ca -0.20 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 3d3a n GLY 614 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d3a s ASN 615 N -2.56 3.77 -0.01 1.61 0.01 -1.26 -4.90 114.94 111.60 3d3a s ASN 615 Ca 0.00 1.23 -0.38 0.00 -0.71 0.00 0.00 52.86 53.00 3d3a s ASN 615 Cb 0.00 -1.90 -0.17 0.00 0.41 0.00 0.00 41.25 39.59 3d3a s ASN 615 CO 0.00 -2.42 1.38 0.61 -1.51 0.00 0.00 177.10 175.16 3d3a n GLY 616 N -1.80 0.41 0.06 0.66 0.00 -1.26 -4.84 105.19 98.42 3d3a n GLY 616 Ca 0.07 0.76 0.13 0.00 0.00 0.00 0.00 46.02 46.97 3d3a n GLY 616 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3a n ALA 617 N 2.89 2.60 -2.53 4.61 0.00 -1.26 -4.87 120.51 121.95 3d3a n ALA 617 Ca 0.20 -0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.26 3d3a n ALA 617 Cb 0.16 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.14 3d3a n ALA 617 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3d3a s TYR 618 N -3.08 2.27 0.43 0.00 2.02 -1.26 -4.04 117.35 113.69 3d3a s TYR 618 Ca 0.10 -0.69 -0.25 0.00 -0.37 0.00 0.00 57.07 55.87 3d3a s TYR 618 Cb 0.15 -1.45 -0.08 0.00 -0.40 0.00 0.00 41.96 40.17 3d3a s TYR 618 CO 0.63 0.36 1.25 0.00 -1.57 0.00 0.00 175.55 176.22 3d3a s ALA 619 N -2.86 3.12 0.34 3.71 0.00 -1.26 -4.89 121.76 119.92 3d3a s ALA 619 Ca 0.34 1.12 0.14 0.00 0.00 0.00 0.00 51.96 53.55 3d3a s ALA 619 Cb 0.07 -3.45 1.08 0.00 0.00 0.00 0.00 23.12 20.82 3d3a s ALA 619 CO 0.16 -0.79 1.64 0.45 0.00 0.00 0.00 175.76 177.23 3d3a h HIS 620 N 2.39 0.81 0.00 0.00 3.86 -1.97 0.27 115.15 120.50 3d3a h HIS 620 Ca -0.49 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3d3a h HIS 620 Cb 1.25 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3d3a h HIS 620 CO 0.53 -0.25 0.00 2.89 0.86 0.00 0.00 177.93 181.96 3d3a n ARG 621 N -5.13 0.15 -3.23 2.45 1.85 -1.26 -3.91 116.66 107.59 3d3a n ARG 621 Ca 0.31 0.15 -0.26 0.00 -1.00 0.00 0.00 57.85 57.06 3d3a n ARG 621 Cb 1.00 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.85 3d3a n ARG 621 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3d3a n LYS 622 N -1.21 2.46 0.00 2.89 5.02 0.95 -4.98 118.16 123.29 3d3a n LYS 622 Ca 0.04 -4.50 0.00 0.00 -2.02 0.00 0.00 58.31 51.84 3d3a n LYS 622 Cb 0.06 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 3d3a n LYS 622 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d3a n GLY 624 N 0.52 -0.48 3.54 0.72 0.00 -1.25 -4.93 105.19 103.30 3d3a n GLY 624 Ca 0.29 0.24 0.02 0.00 0.00 0.00 0.00 46.02 46.57 3d3a n GLY 624 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3d3a s GLU 625 N 0.00 0.06 -0.25 1.61 -6.30 -1.26 -5.16 118.70 107.40 3d3a s GLU 625 Ca 0.00 0.11 -0.04 0.00 -2.50 0.00 0.00 54.97 52.54 3d3a s GLU 625 Cb 0.00 0.03 0.14 0.00 0.00 0.00 0.00 34.13 34.29 3d3a s GLU 625 CO 0.00 -0.01 0.48 0.20 0.02 0.00 0.00 175.26 175.94 3d3a s GLY 626 N 1.31 -0.58 0.01 -1.50 0.00 -1.26 -4.99 107.32 100.30 3d3a s GLY 626 Ca -0.06 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.12 3d3a s GLY 626 CO -0.12 2.82 0.00 1.57 0.00 0.00 0.00 173.10 177.38 3d3a n HIS 627 N 5.40 -0.08 -2.91 1.90 -0.00 -1.26 -5.00 115.22 113.27 3d3a n HIS 627 Ca -0.05 0.01 -0.13 0.00 -0.00 0.00 0.00 57.72 57.55 3d3a n HIS 627 Cb 0.50 0.46 0.03 0.00 -0.00 0.00 0.00 29.99 30.99 3d3a n HIS 627 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 3d3a n HIS 628 N -2.57 -1.87 0.00 1.57 -0.00 -1.26 -5.11 115.22 105.98 3d3a n HIS 628 Ca 0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 57.72 55.04 3d3a n HIS 628 Cb 0.04 0.86 0.00 0.00 -0.00 0.00 0.00 29.99 30.89 3d3a n HIS 628 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3d3a n HIS 629 N 0.66 0.00 -0.29 1.57 8.25 -1.26 -5.32 115.22 118.83 3d3a n HIS 629 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3d3a n HIS 629 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 3d3a n HIS 629 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70