#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3t s ASP -3 N 0.00 5.21 0.53 1.67 1.11 -1.26 -5.01 116.67 118.92 3a3t s ASP -3 Ca 0.00 2.44 -0.17 0.00 0.18 0.00 0.00 52.55 55.00 3a3t s ASP -3 Cb 0.00 -2.60 -0.07 0.00 1.07 0.00 0.00 42.92 41.32 3a3t s ASP -3 CO 0.00 -1.58 1.02 -1.81 1.18 0.00 0.00 175.17 173.98 3a3t s ASP -2 N -1.50 6.27 0.06 0.27 1.01 -1.26 -5.09 116.67 116.43 3a3t s ASP -2 Ca 0.76 1.74 -0.00 0.00 0.71 0.00 0.00 52.55 55.77 3a3t s ASP -2 Cb -0.32 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.04 3a3t s ASP -2 CO 0.35 -0.83 -0.04 -1.59 0.21 0.00 0.00 175.17 173.27 3a3t s LYS -1 N -3.84 0.62 0.20 8.23 -2.85 -1.26 -5.07 119.74 115.77 3a3t s LYS -1 Ca 0.63 -1.15 -0.33 0.00 -1.00 0.00 0.00 55.97 54.11 3a3t s LYS -1 Cb -0.13 0.09 -0.13 0.00 -2.06 0.00 0.00 37.83 35.59 3a3t s LYS -1 CO 0.30 -0.08 1.57 0.00 0.10 0.00 0.00 175.35 177.24 3a3t n ALA 24 N 0.31 1.66 0.00 0.59 0.00 -1.26 -1.12 120.51 120.68 3a3t n ALA 24 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3a3t n ALA 24 Cb 0.60 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3a3t n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a3t n GLY 25 N 3.15 1.87 2.50 0.00 0.00 -1.26 -4.93 105.19 106.53 3a3t n GLY 25 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3a3t n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a3t n LEU 26 N 0.00 2.74 -4.36 0.99 4.77 -0.28 -4.75 117.00 116.11 3a3t n LEU 26 Ca 0.00 -5.30 -0.35 0.00 -0.03 0.00 0.00 56.01 50.33 3a3t n LEU 26 Cb 0.00 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 3a3t n LEU 26 CO 0.00 2.21 -0.38 -0.69 -1.33 0.00 0.00 177.39 177.20 3a3t s VAL 27 N -2.92 3.47 0.27 4.08 1.01 -1.26 -3.99 120.40 121.05 3a3t s VAL 27 Ca 0.42 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3a3t s VAL 27 Cb 0.24 -2.55 -0.11 0.00 0.00 0.00 0.00 36.38 33.96 3a3t s VAL 27 CO -0.09 0.45 1.51 -0.70 0.00 0.00 0.00 175.10 176.27 3a3t s GLU 28 N 1.12 4.20 0.00 2.72 2.12 -1.26 -0.29 118.70 127.30 3a3t s GLU 28 Ca 0.01 2.42 0.00 0.00 0.36 0.00 0.00 54.97 57.77 3a3t s GLU 28 Cb -0.15 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.17 3a3t s GLU 28 CO -0.00 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.61 3a3t n GLY 29 N 2.18 2.09 1.00 -1.50 0.00 0.35 -4.79 105.19 104.52 3a3t n GLY 29 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3a3t n GLY 29 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3a3t n GLN 30 N -2.00 0.02 -0.01 1.61 -0.06 -0.42 -4.88 117.38 111.64 3a3t n GLN 30 Ca 0.00 0.01 0.09 0.00 -2.00 0.00 0.00 57.00 55.10 3a3t n GLN 30 Cb 0.00 -0.53 -0.13 0.00 -4.06 0.00 0.00 30.24 25.52 3a3t n GLN 30 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3a3t n ASN 31 N -3.34 0.92 -3.81 1.69 3.02 0.60 -4.72 115.26 109.61 3a3t n ASN 31 Ca -0.01 -0.20 -0.09 0.00 -0.03 0.00 0.00 54.58 54.25 3a3t n ASN 31 Cb 0.21 1.63 -0.04 0.00 -0.61 0.00 0.00 39.78 40.98 3a3t n ASN 31 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3a3t s TYR 32 N -3.10 -0.05 0.04 3.10 -0.85 -1.18 -0.76 117.35 114.55 3a3t s TYR 32 Ca -0.04 -0.32 0.01 0.00 -0.52 0.00 0.00 57.07 56.20 3a3t s TYR 32 Cb 0.12 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 3a3t s TYR 32 CO 0.73 -1.01 -0.06 0.99 -1.52 0.00 0.00 175.55 174.68 3a3t s THR 33 N -3.91 0.38 -0.21 -3.49 2.01 0.86 -0.50 115.64 110.78 3a3t s THR 33 Ca 0.12 -1.18 -0.09 0.00 0.31 0.00 0.00 61.69 60.85 3a3t s THR 33 Cb -0.02 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 3a3t s THR 33 CO 0.02 -0.53 0.11 -0.69 -0.69 0.00 0.00 174.62 172.84 3a3t s VAL 34 N -1.87 5.00 0.18 3.82 1.01 -1.26 -0.08 120.40 127.20 3a3t s VAL 34 Ca -0.08 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3a3t s VAL 34 Cb -0.07 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 3a3t s VAL 34 CO -0.02 0.40 1.23 -0.76 0.00 0.00 0.00 175.10 175.95 3a3t s LEU 35 N 0.80 4.43 0.20 3.92 1.02 -0.03 -4.94 118.68 124.08 3a3t s LEU 35 Ca 0.06 2.26 -0.10 0.00 0.02 0.00 0.00 54.13 56.36 3a3t s LEU 35 Cb -0.13 -3.60 0.20 0.00 0.02 0.00 0.00 46.19 42.67 3a3t s LEU 35 CO 0.02 -0.42 1.83 0.00 0.02 0.00 0.00 176.35 177.79 3a3t h ALA 36 N 5.45 0.87 -3.32 4.21 0.00 -1.97 -3.41 119.26 121.09 3a3t h ALA 36 Ca -0.44 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 53.91 3a3t h ALA 36 Cb 1.21 -0.17 -0.34 0.00 0.00 0.00 0.00 17.79 18.49 3a3t h ALA 36 CO 0.76 0.11 -0.82 -0.80 0.00 0.00 0.00 179.25 178.50 3a3t s ASN 37 N -5.66 2.15 0.56 0.00 0.01 -1.26 -5.13 114.94 105.61 3a3t s ASN 37 Ca -0.13 -0.36 -0.19 0.00 -0.71 0.00 0.00 52.86 51.47 3a3t s ASN 37 Cb 0.15 -0.96 -0.05 0.00 0.41 0.00 0.00 41.25 40.80 3a3t s ASN 37 CO 0.76 0.01 1.15 -2.84 -1.51 0.00 0.00 177.10 174.67 3a3t s PRO 38 N 0.93 3.25 -0.29 -0.60 0.02 -1.26 -4.99 135.00 132.06 3a3t s PRO 38 Ca -0.09 1.67 -0.16 0.00 0.02 0.00 0.00 61.00 62.45 3a3t s PRO 38 Cb -0.15 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 3a3t s PRO 38 CO 0.00 -0.94 0.41 0.42 -0.33 0.00 0.00 177.00 176.55 3a3t s ILE 39 N -1.72 5.14 0.10 2.83 1.01 -0.32 -5.02 121.20 123.22 3a3t s ILE 39 Ca 0.74 0.51 -0.34 0.00 0.00 0.00 0.00 60.65 61.55 3a3t s ILE 39 Cb -0.26 -3.76 -0.14 0.00 0.01 0.00 0.00 42.46 38.31 3a3t s ILE 39 CO 0.29 0.07 1.60 -2.65 0.00 0.00 0.00 174.94 174.24 3a3t n PRO 40 N 5.42 2.01 -1.88 2.79 -0.02 -1.26 -4.39 135.00 137.67 3a3t n PRO 40 Ca -0.08 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 3a3t n PRO 40 Cb 0.50 -2.49 0.02 0.00 -0.02 0.00 0.00 33.50 31.51 3a3t n PRO 40 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3a3t s GLN 41 N 1.43 3.20 0.28 -0.52 -0.21 -1.26 -4.96 119.66 117.61 3a3t s GLN 41 Ca 0.82 1.09 0.09 0.00 0.02 0.00 0.00 55.36 57.39 3a3t s GLN 41 Cb -0.72 -2.02 0.39 0.00 1.00 0.00 0.00 33.01 31.66 3a3t s GLN 41 CO 0.42 -0.90 1.64 1.96 -2.12 0.00 0.00 175.29 176.29 3a3t h GLN 42 N 0.01 0.06 -4.67 2.91 4.20 -2.00 -3.43 115.11 112.19 3a3t h GLN 42 Ca -0.46 -0.04 -0.57 0.00 0.06 0.00 0.00 58.65 57.65 3a3t h GLN 42 Cb 1.21 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.65 3a3t h GLN 42 CO 0.57 0.61 -0.83 -0.65 -0.67 0.00 0.00 178.83 177.86 3a3t s GLN 43 N -3.76 2.07 0.02 1.46 -0.21 -1.26 -5.06 119.66 112.92 3a3t s GLN 43 Ca -0.02 -0.51 -0.25 0.00 0.02 0.00 0.00 55.36 54.60 3a3t s GLN 43 Cb 0.13 -1.77 -0.18 0.00 1.00 0.00 0.00 33.01 32.19 3a3t s GLN 43 CO 0.76 -0.05 1.40 0.00 -2.12 0.00 0.00 175.29 175.28 3a3t h ALA 44 N 7.37 -0.09 0.00 6.09 0.00 -2.02 -3.27 119.26 127.33 3a3t h ALA 44 Ca -0.31 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3a3t h ALA 44 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3a3t h ALA 44 CO 0.48 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3a3t n GLY 45 N -0.27 -0.58 3.77 0.00 0.00 -1.26 -4.84 105.19 102.01 3a3t n GLY 45 Ca -0.08 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3a3t n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a3t s LYS 46 N -2.12 2.19 -0.41 1.61 1.02 -1.24 -5.02 119.74 115.78 3a3t s LYS 46 Ca 0.23 -2.35 -0.13 0.00 0.02 0.00 0.00 55.97 53.74 3a3t s LYS 46 Cb 0.11 -1.59 0.04 0.00 -0.52 0.00 0.00 37.83 35.87 3a3t s LYS 46 CO 0.20 -0.37 0.28 0.08 -0.92 0.00 0.00 175.35 174.62 3a3t s VAL 47 N -2.86 4.89 0.06 3.17 1.01 0.44 -4.99 120.40 122.12 3a3t s VAL 47 Ca 0.10 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 3a3t s VAL 47 Cb 0.02 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 3a3t s VAL 47 CO 0.05 -0.37 0.72 -0.70 0.00 0.00 0.00 175.10 174.80 3a3t s GLU 48 N 1.60 4.45 -0.31 2.72 2.12 -1.26 -2.40 118.70 125.61 3a3t s GLU 48 Ca 0.03 0.99 -0.07 0.00 0.36 0.00 0.00 54.97 56.29 3a3t s GLU 48 Cb -0.21 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.87 3a3t s GLU 48 CO 0.07 0.37 0.09 0.08 -0.54 0.00 0.00 175.26 175.34 3a3t s VAL 49 N -0.34 3.95 -0.26 3.70 1.01 0.37 -1.25 120.40 127.59 3a3t s VAL 49 Ca 0.36 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3a3t s VAL 49 Cb -0.20 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 3a3t s VAL 49 CO 0.22 0.00 0.05 -0.22 0.00 0.00 0.00 175.10 175.15 3a3t s LEU 50 N 1.48 3.43 -0.27 3.92 2.96 0.32 0.52 118.68 131.04 3a3t s LEU 50 Ca 0.02 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3a3t s LEU 50 Cb -0.18 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3a3t s LEU 50 CO 0.03 -0.08 0.01 -0.70 -1.32 0.00 0.00 176.35 174.29 3a3t s GLU 51 N 1.55 3.00 -0.00 1.98 2.12 0.81 -0.07 118.70 128.08 3a3t s GLU 51 Ca 0.05 -0.89 -0.23 0.00 0.36 0.00 0.00 54.97 54.26 3a3t s GLU 51 Cb -0.15 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 3a3t s GLU 51 CO 0.02 -0.40 0.69 -0.06 -0.54 0.00 0.00 175.26 174.96 3a3t s PHE 52 N 1.42 3.67 0.28 5.30 0.08 0.96 -0.76 117.98 128.93 3a3t s PHE 52 Ca 0.02 1.32 -0.09 0.00 0.12 0.00 0.00 56.93 58.29 3a3t s PHE 52 Cb -0.17 -2.74 -0.00 0.00 -0.57 0.00 0.00 43.02 39.54 3a3t s PHE 52 CO -0.01 0.25 0.47 -0.59 -0.10 0.00 0.00 175.22 175.24 3a3t s PHE 53 N 0.14 0.60 0.01 0.36 -0.71 -0.40 -1.36 117.98 116.61 3a3t s PHE 53 Ca 0.36 -0.94 0.02 0.00 -1.04 0.00 0.00 56.93 55.33 3a3t s PHE 53 Cb -0.19 0.09 -0.01 0.00 -1.21 0.00 0.00 43.02 41.71 3a3t s PHE 53 CO 0.20 -1.04 -0.06 0.20 -1.34 0.00 0.00 175.22 173.18 3a3t s GLY 54 N -3.09 0.31 0.41 1.99 0.00 -1.26 -0.85 107.32 104.83 3a3t s GLY 54 Ca 0.26 -0.34 0.29 0.00 0.00 0.00 0.00 44.72 44.93 3a3t s GLY 54 CO 0.12 -0.32 1.87 -0.97 0.00 0.00 0.00 173.10 173.80 3a3t h TYR 55 N 5.70 0.00 -0.01 1.90 0.05 -1.96 -1.24 116.97 121.41 3a3t h TYR 55 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 3a3t h TYR 55 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 3a3t h TYR 55 CO 0.46 0.00 -0.12 1.97 -1.05 0.00 0.00 178.16 179.42 3a3t n PHE 56 N -2.63 0.00 -3.37 4.88 -1.74 -1.26 -4.35 117.46 108.99 3a3t n PHE 56 Ca 0.01 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.48 3a3t n PHE 56 Cb 0.22 -0.11 -0.09 0.00 1.52 0.00 0.00 39.48 41.01 3a3t n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3a3t h PRO 58 N 8.60 0.58 -0.25 0.00 0.11 -1.89 -0.44 132.00 138.71 3a3t h PRO 58 Ca -0.28 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 3a3t h PRO 58 Cb 1.13 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3a3t h PRO 58 CO 0.74 0.38 -0.09 0.45 -0.21 0.00 0.00 178.00 179.27 3a3t h HIS 59 N 0.59 0.42 -0.67 0.65 3.86 -1.93 -1.75 115.15 116.32 3a3t h HIS 59 Ca 0.21 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 3a3t h HIS 59 Cb 0.05 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3a3t h HIS 59 CO -0.07 0.49 0.20 0.00 0.86 0.00 0.00 177.93 179.41 3a3t h ALA 61 N 1.09 1.59 0.11 0.00 0.00 -0.38 0.18 119.26 121.83 3a3t h ALA 61 Ca 0.21 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 3a3t h ALA 61 Cb 0.30 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 17.88 3a3t h ALA 61 CO -0.01 0.38 -1.08 0.45 0.00 0.00 0.00 179.25 178.99 3a3t h HIS 62 N 0.80 0.89 -0.14 0.00 3.86 -0.82 -3.22 115.15 116.51 3a3t h HIS 62 Ca 0.22 -0.56 -0.05 0.00 -1.16 0.00 0.00 60.37 58.82 3a3t h HIS 62 Cb -0.07 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3a3t h HIS 62 CO -0.00 1.40 -0.15 1.25 0.86 0.00 0.00 177.93 181.29 3a3t h LEU 63 N 0.12 0.22 -0.74 2.43 5.85 -0.48 -3.34 115.31 119.37 3a3t h LEU 63 Ca -0.17 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3a3t h LEU 63 Cb 1.78 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.67 3a3t h LEU 63 CO 0.21 0.39 -0.44 1.21 -0.34 0.00 0.00 178.44 179.47 3a3t n GLU 64 N -4.26 -0.33 -0.19 1.25 0.00 0.61 -1.22 120.64 116.51 3a3t n GLU 64 Ca -0.01 1.33 -0.09 0.00 0.00 0.00 0.00 57.16 58.39 3a3t n GLU 64 Cb 0.28 -1.97 0.01 0.00 0.00 0.00 0.00 31.44 29.77 3a3t n GLU 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3a3t h PRO 65 N 0.00 0.94 0.53 5.31 0.11 -1.75 -1.70 132.00 135.44 3a3t h PRO 65 Ca 0.12 -0.29 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 3a3t h PRO 65 Cb 0.30 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 3a3t h PRO 65 CO -0.70 0.94 -0.32 0.28 -0.21 0.00 0.00 178.00 177.99 3a3t h VAL 66 N 0.82 0.34 -0.61 3.15 2.07 -1.47 -0.39 116.25 120.16 3a3t h VAL 66 Ca 0.16 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3a3t h VAL 66 Cb 0.50 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3a3t h VAL 66 CO 0.02 0.00 0.19 0.25 0.02 0.00 0.00 177.57 178.06 3a3t h LEU 67 N -0.81 0.89 0.37 2.57 5.85 -1.18 -1.75 115.31 121.24 3a3t h LEU 67 Ca -0.06 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3a3t h LEU 67 Cb 0.66 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3a3t h LEU 67 CO 0.07 0.86 -0.44 -1.28 -0.34 0.00 0.00 178.44 177.31 3a3t h SER 68 N 0.87 -1.21 -0.19 1.25 0.87 -1.17 -0.93 113.55 113.04 3a3t h SER 68 Ca 0.20 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.92 3a3t h SER 68 Cb 0.28 0.41 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 3a3t h SER 68 CO -0.01 -0.57 -0.24 0.11 -0.53 0.00 0.00 176.83 175.59 3a3t h LYS 69 N -0.84 -0.26 -0.85 2.24 6.56 -0.98 -2.60 116.57 119.84 3a3t h LYS 69 Ca -0.03 0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.66 3a3t h LYS 69 Cb 0.76 0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 32.41 3a3t h LYS 69 CO -0.10 -0.17 0.50 1.25 -2.06 0.00 0.00 179.45 178.86 3a3t h HIS 70 N -0.27 0.92 -0.14 -1.35 2.76 -1.15 0.05 115.15 115.96 3a3t h HIS 70 Ca 0.12 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 3a3t h HIS 70 Cb 0.45 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3a3t h HIS 70 CO -0.37 0.40 0.11 0.00 -1.30 0.00 0.00 177.93 176.77 3a3t h ALA 71 N 1.45 2.03 0.00 5.26 0.00 -0.77 -0.26 119.26 126.97 3a3t h ALA 71 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3a3t h ALA 71 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3a3t h ALA 71 CO -0.23 -0.19 0.00 0.87 0.00 0.00 0.00 179.25 179.71 3a3t h LYS 72 N 0.00 0.00 -0.65 0.00 1.57 -0.90 -0.88 116.57 115.71 3a3t h LYS 72 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3a3t h LYS 72 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3a3t h LYS 72 CO -0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 3a3t n SER 73 N -2.41 4.13 -4.77 0.86 3.41 -0.11 -4.96 113.62 109.77 3a3t n SER 73 Ca 0.01 -2.19 -0.41 0.00 -0.26 0.00 0.00 58.87 56.02 3a3t n SER 73 Cb 0.19 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.62 3a3t n SER 73 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3a3t s PHE 74 N -1.35 3.14 1.25 7.33 0.08 -0.34 -5.03 117.98 123.06 3a3t s PHE 74 Ca 0.47 1.45 -0.16 0.00 0.12 0.00 0.00 56.93 58.81 3a3t s PHE 74 Cb 0.27 -3.62 0.30 0.00 -0.57 0.00 0.00 43.02 39.40 3a3t s PHE 74 CO 0.28 -1.66 0.85 1.63 -0.10 0.00 0.00 175.22 176.22 3a3t n LYS 75 N 0.91 -3.06 0.25 0.44 5.02 -1.26 -4.88 118.16 115.58 3a3t n LYS 75 Ca -0.00 -0.88 0.12 0.00 -2.02 0.00 0.00 58.31 55.53 3a3t n LYS 75 Cb 0.42 -2.03 0.63 0.00 -0.02 0.00 0.00 35.03 34.03 3a3t n LYS 75 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3a3t h ASP 76 N -2.90 0.00 -0.22 4.39 3.32 -2.00 -2.57 116.42 116.44 3a3t h ASP 76 Ca -0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.48 3a3t h ASP 76 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3a3t h ASP 76 CO 0.42 0.16 0.00 -0.90 -1.72 0.00 0.00 179.24 177.21 3a3t n ASP 77 N -3.55 2.16 -3.77 6.45 3.85 -1.26 -4.85 116.55 115.58 3a3t n ASP 77 Ca -0.01 -2.20 -0.13 0.00 -0.71 0.00 0.00 54.79 51.74 3a3t n ASP 77 Cb 0.31 -0.42 -0.12 0.00 -1.35 0.00 0.00 41.12 39.54 3a3t n ASP 77 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 3a3t s MET 78 N -1.62 0.23 0.14 0.11 1.75 -0.97 -0.42 119.30 118.52 3a3t s MET 78 Ca 0.18 0.39 -0.10 0.00 -1.25 0.00 0.00 55.69 54.90 3a3t s MET 78 Cb 0.12 0.02 0.00 0.00 2.84 0.00 0.00 34.83 37.82 3a3t s MET 78 CO 0.08 -0.08 0.29 1.52 -0.65 0.00 0.00 175.02 176.17 3a3t s TYR 79 N 0.57 0.20 -0.18 4.11 -0.85 -1.01 -4.55 117.35 115.63 3a3t s TYR 79 Ca -0.04 -0.58 -0.11 0.00 -0.52 0.00 0.00 57.07 55.83 3a3t s TYR 79 Cb -0.05 0.02 -0.05 0.00 0.38 0.00 0.00 41.96 42.26 3a3t s TYR 79 CO -0.03 -0.68 0.17 -1.17 -1.52 0.00 0.00 175.55 172.32 3a3t s LEU 80 N -2.90 4.23 -0.07 -3.49 2.96 -1.26 -0.48 118.68 117.67 3a3t s LEU 80 Ca 0.11 0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 3a3t s LEU 80 Cb 0.03 -2.15 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 3a3t s LEU 80 CO -0.05 0.18 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.36 3a3t s ARG 81 N 0.28 2.31 -0.02 1.98 3.52 0.18 -4.93 118.95 122.27 3a3t s ARG 81 Ca 0.10 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 55.06 3a3t s ARG 81 Cb -0.12 -1.88 -0.02 0.00 -1.56 0.00 0.00 34.95 31.38 3a3t s ARG 81 CO -0.00 0.22 -0.24 0.95 -0.81 0.00 0.00 175.30 175.42 3a3t s THR 82 N 0.20 1.87 -0.01 4.11 -4.23 -1.26 -0.14 115.64 116.17 3a3t s THR 82 Ca -0.10 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 3a3t s THR 82 Cb -0.15 -1.55 0.01 0.00 1.34 0.00 0.00 72.50 72.15 3a3t s THR 82 CO 0.05 0.52 -0.03 -1.61 -0.54 0.00 0.00 174.62 173.01 3a3t s GLU 83 N -0.57 0.38 0.05 3.99 0.41 0.07 -4.94 118.70 118.09 3a3t s GLU 83 Ca 0.09 -0.08 -0.27 0.00 -0.41 0.00 0.00 54.97 54.30 3a3t s GLU 83 Cb -0.09 -0.42 -0.05 0.00 -1.78 0.00 0.00 34.13 31.79 3a3t s GLU 83 CO -0.01 0.01 0.85 -1.58 -0.49 0.00 0.00 175.26 174.04 3a3t s HIS 84 N 0.31 3.74 0.60 1.61 2.46 -1.26 -1.27 115.29 121.47 3a3t s HIS 84 Ca -0.03 1.59 -0.17 0.00 0.47 0.00 0.00 55.06 56.92 3a3t s HIS 84 Cb -0.06 -2.94 -0.03 0.00 -0.13 0.00 0.00 32.58 29.42 3a3t s HIS 84 CO -0.01 0.20 1.12 0.14 -2.47 0.00 0.00 174.74 173.72 3a3t s VAL 85 N 0.18 3.22 -0.30 0.89 -7.23 -0.03 -4.65 120.40 112.47 3a3t s VAL 85 Ca 0.43 0.66 -0.01 0.00 -1.81 0.00 0.00 61.98 61.25 3a3t s VAL 85 Cb -0.21 -3.21 0.10 0.00 0.56 0.00 0.00 36.38 33.62 3a3t s VAL 85 CO 0.25 -0.25 0.09 -0.69 -0.31 0.00 0.00 175.10 174.19 3a3t s VAL 86 N -2.04 0.87 -1.14 1.32 1.01 -1.26 -4.77 120.40 114.38 3a3t s VAL 86 Ca 0.70 -1.33 0.21 0.00 0.00 0.00 0.00 61.98 61.57 3a3t s VAL 86 Cb -0.22 -1.62 -0.18 0.00 0.00 0.00 0.00 36.38 34.35 3a3t s VAL 86 CO 0.34 -0.62 0.96 0.79 0.00 0.00 0.00 175.10 176.56 3a3t n TRP 87 N 4.86 0.00 -3.49 5.22 8.01 -1.26 -4.76 117.44 126.02 3a3t n TRP 87 Ca -0.03 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.06 3a3t n TRP 87 Cb 0.42 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.31 29.69 3a3t n TRP 87 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 3a3t s GLN 88 N -2.93 0.95 0.35 -0.99 -2.07 -1.26 -5.06 119.66 108.65 3a3t s GLN 88 Ca 0.10 -0.29 0.13 0.00 -1.82 0.00 0.00 55.36 53.47 3a3t s GLN 88 Cb 0.16 0.44 0.96 0.00 -1.09 0.00 0.00 33.01 33.48 3a3t s GLN 88 CO 0.82 -0.40 1.75 -0.22 -1.32 0.00 0.00 175.29 175.92 3a3t h LYS 89 N 2.08 0.51 0.00 9.60 3.64 -2.03 0.18 116.57 130.55 3a3t h LYS 89 Ca -0.25 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3a3t h LYS 89 Cb 1.25 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3a3t h LYS 89 CO 0.33 0.34 -0.01 0.93 -2.27 0.00 0.00 179.45 178.77 3a3t h GLU 90 N 0.53 0.00 0.00 1.90 3.07 -1.97 -2.12 114.58 115.99 3a3t h GLU 90 Ca 0.62 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 3a3t h GLU 90 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 3a3t h GLU 90 CO -0.39 0.01 0.00 -1.33 -1.40 0.00 0.00 179.01 175.90 3a3t n MET 91 N -4.30 0.09 -0.21 2.33 2.81 0.05 -3.25 117.12 114.65 3a3t n MET 91 Ca -0.03 0.19 0.08 0.00 -1.81 0.00 0.00 57.70 56.14 3a3t n MET 91 Cb 0.10 -1.64 0.36 0.00 -0.71 0.00 0.00 33.22 31.34 3a3t n MET 91 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3a3t h LEU 92 N 0.00 0.65 -1.17 4.03 3.38 -1.50 -0.40 115.31 120.31 3a3t h LEU 92 Ca 0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3a3t h LEU 92 Cb 0.46 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3a3t h LEU 92 CO 0.00 0.39 0.57 0.74 0.09 0.00 0.00 178.44 180.23 3a3t h THR 93 N 0.73 1.16 -0.06 0.22 2.02 -1.76 0.42 112.91 115.63 3a3t h THR 93 Ca 0.35 -0.38 -0.22 0.00 0.77 0.00 0.00 66.41 66.94 3a3t h THR 93 Cb 0.42 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3a3t h THR 93 CO -0.13 0.20 -0.84 -0.07 0.37 0.00 0.00 175.52 175.05 3a3t h LEU 94 N 1.10 0.65 -0.77 2.58 3.38 -1.31 -1.26 115.31 119.68 3a3t h LEU 94 Ca 0.34 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 3a3t h LEU 94 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3a3t h LEU 94 CO -0.10 1.24 -0.36 0.00 0.09 0.00 0.00 178.44 179.32 3a3t h ALA 95 N 0.73 0.94 -0.65 1.53 0.00 -1.00 0.85 119.26 121.66 3a3t h ALA 95 Ca -0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3a3t h ALA 95 Cb 1.46 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3a3t h ALA 95 CO 0.15 0.62 0.29 0.00 0.00 0.00 0.00 179.25 180.31 3a3t h ARG 96 N 0.43 0.96 -0.33 0.00 3.08 -0.82 -0.48 114.38 117.21 3a3t h ARG 96 Ca 0.05 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 3a3t h ARG 96 Cb 0.83 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3a3t h ARG 96 CO 0.07 0.78 0.11 1.25 -1.07 0.00 0.00 179.97 181.11 3a3t h LEU 97 N 0.91 0.48 -0.58 3.04 5.85 -0.85 0.25 115.31 124.42 3a3t h LEU 97 Ca 0.22 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3a3t h LEU 97 Cb 0.16 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3a3t h LEU 97 CO -0.02 0.56 0.26 0.00 -0.34 0.00 0.00 178.44 178.89 3a3t h ALA 98 N 0.95 0.76 -0.56 1.25 0.00 -0.64 0.42 119.26 121.43 3a3t h ALA 98 Ca 0.11 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3a3t h ALA 98 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3a3t h ALA 98 CO -0.00 -0.12 0.09 0.00 0.00 0.00 0.00 179.25 179.22 3a3t h ALA 99 N 1.36 0.75 -0.93 0.00 0.00 -0.78 -2.42 119.26 117.24 3a3t h ALA 99 Ca 0.28 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3a3t h ALA 99 Cb 0.27 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3a3t h ALA 99 CO -0.24 0.49 0.58 0.00 0.00 0.00 0.00 179.25 180.08 3a3t h ALA 100 N 1.00 1.35 -0.26 0.00 0.00 0.47 0.81 119.26 122.62 3a3t h ALA 100 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3a3t h ALA 100 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a3t h ALA 100 CO 0.01 0.25 0.07 0.28 0.00 0.00 0.00 179.25 179.86 3a3t h VAL 101 N 0.98 1.21 -0.58 0.00 2.07 -0.65 0.09 116.25 119.38 3a3t h VAL 101 Ca 0.44 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3a3t h VAL 101 Cb 0.33 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3a3t h VAL 101 CO -0.23 0.22 0.22 0.44 0.02 0.00 0.00 177.57 178.24 3a3t h ASP 102 N 0.25 0.77 -0.05 0.57 3.32 -0.95 -0.13 116.42 120.20 3a3t h ASP 102 Ca 0.08 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3a3t h ASP 102 Cb 0.28 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3a3t h ASP 102 CO 0.00 0.71 -0.10 0.24 -1.72 0.00 0.00 179.24 178.37 3a3t h MET 103 N 0.83 0.15 0.00 3.56 2.86 -0.57 -3.37 114.93 118.39 3a3t h MET 103 Ca 0.20 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3a3t h MET 103 Cb 0.19 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3a3t h MET 103 CO -0.02 0.68 -1.16 0.00 1.06 0.00 0.00 176.91 177.48 3a3t n ALA 104 N -2.42 2.44 -2.13 6.32 0.00 -0.00 -4.66 120.51 120.05 3a3t n ALA 104 Ca -0.08 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.10 3a3t n ALA 104 Cb 0.35 -0.27 0.08 0.00 0.00 0.00 0.00 19.45 19.60 3a3t n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a3t n ALA 105 N -1.65 3.79 -0.17 0.00 0.00 -0.08 -4.85 120.51 117.55 3a3t n ALA 105 Ca -0.01 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.18 3a3t n ALA 105 Cb 0.19 -0.50 0.25 0.00 0.00 0.00 0.00 19.45 19.39 3a3t n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a3t h ALA 106 N 1.77 1.43 0.00 0.00 0.00 -1.68 0.69 119.26 121.47 3a3t h ALA 106 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a3t h ALA 106 Cb 1.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3a3t h ALA 106 CO 0.34 0.48 -0.13 -0.44 0.00 0.00 0.00 179.25 179.51 3a3t h ASP 107 N 0.92 0.00 0.00 0.00 3.32 -1.90 -3.20 116.42 115.55 3a3t h ASP 107 Ca 0.24 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3a3t h ASP 107 Cb -0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3a3t h ASP 107 CO -0.04 0.02 -0.43 -1.54 -1.72 0.00 0.00 179.24 175.53 3a3t n SER 108 N -2.43 1.80 -0.12 6.45 3.41 -0.77 -4.82 113.62 117.14 3a3t n SER 108 Ca 0.05 -3.74 -0.04 0.00 -0.26 0.00 0.00 58.87 54.87 3a3t n SER 108 Cb 0.46 -0.51 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 3a3t n SER 108 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3a3t h LYS 109 N 0.83 0.82 -0.41 4.33 3.64 -0.89 -1.21 116.57 123.69 3a3t h LYS 109 Ca -0.00 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.22 3a3t h LYS 109 Cb 1.02 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 3a3t h LYS 109 CO 0.00 0.80 0.15 -0.44 -2.27 0.00 0.00 179.45 177.69 3a3t h ASP 110 N 0.77 0.17 -0.14 4.20 3.32 -1.87 0.11 116.42 122.99 3a3t h ASP 110 Ca 0.16 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 3a3t h ASP 110 Cb 0.41 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3a3t h ASP 110 CO 0.01 0.14 -0.18 0.58 -1.72 0.00 0.00 179.24 178.07 3a3t h VAL 111 N 0.32 1.36 -0.30 -1.35 2.07 -1.87 -2.17 116.25 114.31 3a3t h VAL 111 Ca 0.19 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.34 3a3t h VAL 111 Cb 0.16 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3a3t h VAL 111 CO -0.18 0.41 0.13 0.00 0.02 0.00 0.00 177.57 177.95 3a3t h ALA 112 N 0.58 0.35 -0.55 1.67 0.00 -1.07 -2.32 119.26 117.92 3a3t h ALA 112 Ca 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3a3t h ALA 112 Cb 0.73 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3a3t h ALA 112 CO 0.04 -0.26 0.20 -0.91 0.00 0.00 0.00 179.25 178.33 3a3t h ASN 113 N 0.29 0.77 -0.70 0.00 4.21 -0.81 -1.79 115.58 117.56 3a3t h ASN 113 Ca 0.12 -0.19 0.10 0.00 1.21 0.00 0.00 56.30 57.55 3a3t h ASN 113 Cb 0.06 -0.20 -0.08 0.00 -1.12 0.00 0.00 38.32 36.98 3a3t h ASN 113 CO -0.10 0.75 0.32 -1.28 -1.29 0.00 0.00 177.43 175.83 3a3t h SER 114 N 0.75 0.37 0.47 5.81 0.87 -1.17 -0.53 113.55 120.12 3a3t h SER 114 Ca 0.18 0.08 -0.18 0.00 -1.23 0.00 0.00 61.79 60.63 3a3t h SER 114 Cb 0.23 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3a3t h SER 114 CO -0.01 0.20 -0.79 0.45 -0.53 0.00 0.00 176.83 176.15 3a3t h HIS 115 N 0.52 0.34 0.05 2.24 3.86 -1.04 -1.28 115.15 119.85 3a3t h HIS 115 Ca 0.36 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3a3t h HIS 115 Cb 0.43 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.85 3a3t h HIS 115 CO -0.13 0.93 -0.03 0.82 0.86 0.00 0.00 177.93 180.39 3a3t h ILE 116 N 0.15 1.20 -0.47 2.45 2.04 -0.90 -1.08 117.51 120.90 3a3t h ILE 116 Ca -0.03 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.00 3a3t h ILE 116 Cb 1.38 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 39.19 3a3t h ILE 116 CO 0.12 0.22 0.16 -0.26 0.00 0.00 0.00 178.15 178.40 3a3t h PHE 117 N -0.47 0.28 -0.81 1.37 0.04 -1.11 -1.98 116.94 114.26 3a3t h PHE 117 Ca -0.01 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3a3t h PHE 117 Cb 0.42 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 3a3t h PHE 117 CO 0.06 0.09 0.39 0.22 -0.60 0.00 0.00 178.31 178.47 3a3t h ASP 118 N 0.33 1.07 -0.67 2.17 3.58 -1.20 0.33 116.42 122.04 3a3t h ASP 118 Ca 0.23 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3a3t h ASP 118 Cb 0.24 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 3a3t h ASP 118 CO -0.24 0.90 0.35 0.00 -2.88 0.00 0.00 179.24 177.37 3a3t h ALA 119 N 1.20 1.32 0.00 -0.78 0.00 -0.57 -0.91 119.26 119.52 3a3t h ALA 119 Ca 0.28 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3a3t h ALA 119 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3a3t h ALA 119 CO -0.03 0.54 -0.76 0.52 0.00 0.00 0.00 179.25 179.52 3a3t h MET 120 N 0.97 0.00 -0.45 0.00 2.86 -0.80 0.46 114.93 117.97 3a3t h MET 120 Ca 0.24 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.74 3a3t h MET 120 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3a3t h MET 120 CO -0.03 0.53 -0.28 0.28 1.06 0.00 0.00 176.91 178.47 3a3t h VAL 121 N -1.00 1.27 0.01 -2.22 2.07 -0.45 -2.71 116.25 113.22 3a3t h VAL 121 Ca -0.16 -1.45 -0.41 0.00 0.82 0.00 0.00 66.70 65.50 3a3t h VAL 121 Cb 0.86 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3a3t h VAL 121 CO -0.09 0.50 -2.30 0.59 0.02 0.00 0.00 177.57 176.29 3a3t n ASN 122 N -4.09 1.96 -0.13 0.57 5.03 -0.46 -4.55 115.26 113.59 3a3t n ASN 122 Ca -0.01 0.26 0.13 0.00 0.87 0.00 0.00 54.58 55.83 3a3t n ASN 122 Cb 0.49 -0.77 0.40 0.00 -1.02 0.00 0.00 39.78 38.88 3a3t n ASN 122 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a3t n GLN 123 N -4.06 0.51 -1.76 3.52 6.02 -0.55 -4.94 117.38 116.12 3a3t n GLN 123 Ca -0.48 -0.26 -0.20 0.00 -0.01 0.00 0.00 57.00 56.04 3a3t n GLN 123 Cb 0.88 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.58 3a3t n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3a3t n LYS 124 N -1.02 -1.47 -2.24 -1.09 4.76 -0.75 -4.94 118.16 111.42 3a3t n LYS 124 Ca 0.10 1.17 -0.41 0.00 -2.87 0.00 0.00 58.31 56.31 3a3t n LYS 124 Cb 0.33 -5.60 -0.03 0.00 -1.84 0.00 0.00 35.03 27.89 3a3t n LYS 124 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3a3t s ILE 125 N -2.81 3.10 -1.26 -0.18 1.01 0.08 -4.94 121.20 116.19 3a3t s ILE 125 Ca 0.00 1.01 -0.09 0.00 0.00 0.00 0.00 60.65 61.56 3a3t s ILE 125 Cb 0.00 -3.64 0.18 0.00 0.01 0.00 0.00 42.46 39.00 3a3t s ILE 125 CO 0.00 0.20 1.81 1.17 0.00 0.00 0.00 174.94 178.13 3a3t n LYS 126 N 1.66 3.65 0.17 2.79 4.81 -1.26 -4.40 118.16 125.57 3a3t n LYS 126 Ca 0.02 -3.61 0.13 0.00 -0.87 0.00 0.00 58.31 53.98 3a3t n LYS 126 Cb 0.43 -2.91 0.57 0.00 0.02 0.00 0.00 35.03 33.14 3a3t n LYS 126 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3a3t h LEU 127 N 7.91 0.00 -0.30 3.14 3.38 -1.92 -1.55 115.31 125.96 3a3t h LEU 127 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3a3t h LEU 127 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3a3t h LEU 127 CO 1.57 0.00 0.00 0.00 0.09 0.00 0.00 178.44 180.10 3a3t n GLN 128 N -2.39 0.16 -2.82 1.13 0.00 -1.26 -4.37 117.38 107.83 3a3t n GLN 128 Ca 0.01 0.29 -0.43 0.00 0.00 0.00 0.00 57.00 56.87 3a3t n GLN 128 Cb 0.19 -1.75 -0.04 0.00 0.00 0.00 0.00 30.24 28.64 3a3t n GLN 128 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3a3t s ASN 129 N -3.98 6.32 0.41 2.61 3.84 -0.58 -4.70 114.94 118.85 3a3t s ASN 129 Ca 0.08 -0.40 0.20 0.00 0.21 0.00 0.00 52.86 52.94 3a3t s ASN 129 Cb 0.11 -2.44 1.14 0.00 -0.55 0.00 0.00 41.25 39.51 3a3t s ASN 129 CO 0.45 -1.28 1.78 -0.65 -2.79 0.00 0.00 177.10 174.61 3a3t h PRO 130 N 9.37 0.35 -0.16 0.43 0.11 -1.86 0.10 132.00 140.35 3a3t h PRO 130 Ca -0.26 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 3a3t h PRO 130 Cb 1.07 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3a3t h PRO 130 CO 1.11 0.23 -0.19 1.49 -0.21 0.00 0.00 178.00 180.43 3a3t h GLU 131 N 0.36 0.40 -0.58 1.05 4.81 -1.93 -1.17 114.58 117.53 3a3t h GLU 131 Ca 0.58 -0.23 0.08 0.00 -0.13 0.00 0.00 59.36 59.66 3a3t h GLU 131 Cb 1.54 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.87 3a3t h GLU 131 CO -0.27 0.80 0.25 0.28 -0.73 0.00 0.00 179.01 179.34 3a3t h VAL 132 N 0.03 0.84 -0.08 0.32 2.07 -1.16 -2.41 116.25 115.86 3a3t h VAL 132 Ca 0.02 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3a3t h VAL 132 Cb 0.74 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3a3t h VAL 132 CO 0.05 0.08 0.05 0.25 0.02 0.00 0.00 177.57 178.02 3a3t h LEU 133 N 0.46 0.10 -0.96 2.57 5.85 -0.93 -1.10 115.31 121.30 3a3t h LEU 133 Ca 0.28 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3a3t h LEU 133 Cb 0.29 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3a3t h LEU 133 CO -0.25 0.11 0.46 0.11 -0.34 0.00 0.00 178.44 178.54 3a3t h LYS 134 N 0.07 1.20 0.28 1.25 1.57 -1.07 0.17 116.57 120.04 3a3t h LYS 134 Ca 0.03 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3a3t h LYS 134 Cb 0.03 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.11 3a3t h LYS 134 CO -0.01 0.88 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.40 3a3t h LYS 135 N 1.20 -0.36 -0.30 3.15 3.64 -1.30 -2.48 116.57 120.12 3a3t h LYS 135 Ca 0.30 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.77 3a3t h LYS 135 Cb 0.04 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 3a3t h LYS 135 CO -0.05 -0.10 -0.11 2.35 -2.27 0.00 0.00 179.45 179.27 3a3t h TRP 136 N -0.57 -0.24 -0.61 1.91 7.01 -0.92 -1.66 115.95 120.86 3a3t h TRP 136 Ca -0.04 0.03 0.10 0.00 2.11 0.00 0.00 58.89 61.09 3a3t h TRP 136 Cb 0.42 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 3a3t h TRP 136 CO -0.00 -0.17 0.41 -0.07 -2.79 0.00 0.00 178.44 175.81 3a3t h LEU 137 N -0.05 0.38 -0.89 0.65 3.38 -0.65 -1.05 115.31 117.09 3a3t h LEU 137 Ca 0.15 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3a3t h LEU 137 Cb 0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3a3t h LEU 137 CO -0.34 0.23 -0.51 1.23 0.09 0.00 0.00 178.44 179.15 3a3t h GLY 138 N 0.42 0.00 1.50 0.83 0.00 -0.83 -3.17 103.07 101.83 3a3t h GLY 138 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3a3t h GLY 138 CO -0.08 0.00 -0.33 1.18 0.00 0.00 0.00 176.54 177.31 3a3t n GLU 139 N -3.75 0.19 -2.15 4.80 1.02 -0.42 -4.89 120.64 115.44 3a3t n GLU 139 Ca -0.01 0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 3a3t n GLU 139 Cb 0.55 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 3a3t n GLU 139 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3a3t s GLN 140 N -3.09 4.34 -0.03 3.49 -1.52 -1.07 -4.93 119.66 116.84 3a3t s GLN 140 Ca 0.09 2.13 0.06 0.00 -1.95 0.00 0.00 55.36 55.70 3a3t s GLN 140 Cb 0.15 -3.18 -0.09 0.00 -0.22 0.00 0.00 33.01 29.66 3a3t s GLN 140 CO 0.65 -0.35 0.10 -2.37 -0.25 0.00 0.00 175.29 173.07 3a3t n THR 141 N 2.92 0.16 0.17 -0.19 5.66 -1.26 -4.35 114.28 117.39 3a3t n THR 141 Ca 0.08 -0.19 0.05 0.00 -3.05 0.00 0.00 64.05 60.93 3a3t n THR 141 Cb 0.42 -0.10 0.25 0.00 -1.55 0.00 0.00 70.33 69.34 3a3t n THR 141 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3a3t h ALA 142 N 0.49 0.89 -2.51 1.79 0.00 -1.99 -3.45 119.26 114.47 3a3t h ALA 142 Ca -0.06 -0.39 -0.36 0.00 0.00 0.00 0.00 54.91 54.10 3a3t h ALA 142 Cb 0.71 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.29 3a3t h ALA 142 CO 0.00 0.53 -0.58 -0.59 0.00 0.00 0.00 179.25 178.62 3a3t s PHE 143 N -3.42 1.47 -1.21 0.00 -0.71 -1.26 -4.91 117.98 107.94 3a3t s PHE 143 Ca 0.01 -1.39 -0.19 0.00 -1.04 0.00 0.00 56.93 54.32 3a3t s PHE 143 Cb 0.10 -0.75 0.07 0.00 -1.21 0.00 0.00 43.02 41.23 3a3t s PHE 143 CO 0.70 -0.59 1.63 0.34 -1.34 0.00 0.00 175.22 175.97 3a3t s ASP 144 N -3.30 6.75 0.46 1.98 2.15 -1.26 -4.80 116.67 118.65 3a3t s ASP 144 Ca 0.38 -2.17 0.14 0.00 0.43 0.00 0.00 52.55 51.32 3a3t s ASP 144 Cb 0.06 -2.57 1.06 0.00 -0.30 0.00 0.00 42.92 41.17 3a3t s ASP 144 CO 0.17 -1.25 2.04 1.23 -0.17 0.00 0.00 175.17 177.19 3a3t h GLY 145 N 12.47 0.07 1.36 2.66 0.00 -1.76 -2.61 103.07 115.25 3a3t h GLY 145 Ca 0.37 -0.03 -0.18 0.00 0.00 0.00 0.00 47.33 47.48 3a3t h GLY 145 CO 1.44 0.03 -0.62 0.50 0.00 0.00 0.00 176.54 177.88 3a3t h LYS 146 N 0.06 0.66 -0.57 4.80 1.57 -1.87 -0.28 116.57 120.94 3a3t h LYS 146 Ca 0.01 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.26 3a3t h LYS 146 Cb 0.19 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3a3t h LYS 146 CO 0.01 1.08 0.05 -0.22 -0.57 0.00 0.00 179.45 179.80 3a3t h LYS 147 N 0.49 0.96 -0.66 3.15 3.64 -1.86 -2.11 116.57 120.17 3a3t h LYS 147 Ca -0.01 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.04 3a3t h LYS 147 Cb 1.21 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3a3t h LYS 147 CO 0.12 0.94 0.23 0.28 -2.27 0.00 0.00 179.45 178.75 3a3t h VAL 148 N 0.85 1.25 -0.68 2.00 2.07 -1.35 -2.49 116.25 117.90 3a3t h VAL 148 Ca 0.17 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 66.94 3a3t h VAL 148 Cb 0.47 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 3a3t h VAL 148 CO 0.02 0.32 0.34 0.25 0.02 0.00 0.00 177.57 178.52 3a3t h LEU 149 N 0.95 0.47 -0.50 2.57 5.85 -0.80 0.12 115.31 123.97 3a3t h LEU 149 Ca 0.22 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.00 3a3t h LEU 149 Cb 0.27 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3a3t h LEU 149 CO -0.01 0.28 0.31 0.00 -0.34 0.00 0.00 178.44 178.68 3a3t h ALA 150 N 1.39 0.64 -0.09 1.25 0.00 -0.99 -0.95 119.26 120.51 3a3t h ALA 150 Ca 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3a3t h ALA 150 Cb 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3a3t h ALA 150 CO -0.24 0.03 0.05 0.00 0.00 0.00 0.00 179.25 179.09 3a3t h ALA 151 N 1.21 0.11 -1.02 0.00 0.00 -0.97 -2.15 119.26 116.43 3a3t h ALA 151 Ca 0.19 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.31 3a3t h ALA 151 Cb -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.63 3a3t h ALA 151 CO -0.07 -0.36 0.64 -0.92 0.00 0.00 0.00 179.25 178.54 3a3t h TYR 152 N 0.06 0.78 0.00 0.00 3.20 -0.25 0.11 116.97 120.88 3a3t h TYR 152 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3a3t h TYR 152 Cb 0.06 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3a3t h TYR 152 CO -0.05 0.08 -0.24 0.39 -1.64 0.00 0.00 178.16 176.70 3a3t n GLU 153 N -4.70 0.06 -2.70 1.82 1.02 -0.41 -4.73 120.64 111.00 3a3t n GLU 153 Ca 0.25 0.03 -0.34 0.00 -0.02 0.00 0.00 57.16 57.09 3a3t n GLU 153 Cb 0.81 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 3a3t n GLU 153 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3a3t s SER 154 N -3.30 6.75 0.56 1.62 1.04 0.40 -4.95 113.70 115.81 3a3t s SER 154 Ca 0.12 1.81 0.24 0.00 0.48 0.00 0.00 55.95 58.59 3a3t s SER 154 Cb 0.17 -2.55 1.53 0.00 0.10 0.00 0.00 66.02 65.27 3a3t s SER 154 CO 0.62 -0.50 2.15 -0.65 0.98 0.00 0.00 173.24 175.84 3a3t h PRO 155 N 1.91 0.00 -0.68 4.02 0.11 -1.90 -2.12 132.00 133.35 3a3t h PRO 155 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3a3t h PRO 155 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3a3t h PRO 155 CO 0.61 0.00 0.26 1.49 -0.21 0.00 0.00 178.00 180.14 3a3t h GLU 156 N 0.00 1.00 -0.13 1.05 4.81 -1.92 -1.02 114.58 118.37 3a3t h GLU 156 Ca 0.05 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 3a3t h GLU 156 Cb 0.24 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3a3t h GLU 156 CO -0.00 0.83 -0.46 0.66 -0.73 0.00 0.00 179.01 179.30 3a3t h SER 157 N 0.98 0.35 -0.20 1.04 4.64 -1.57 -0.71 113.55 118.07 3a3t h SER 157 Ca 0.23 -0.16 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 3a3t h SER 157 Cb 0.21 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3a3t h SER 157 CO -0.02 0.76 -0.59 -0.61 -0.87 0.00 0.00 176.83 175.50 3a3t h GLN 158 N 0.26 0.81 -0.30 4.77 5.75 -1.47 -0.37 115.11 124.55 3a3t h GLN 158 Ca 0.02 -0.54 0.02 0.00 -0.15 0.00 0.00 58.65 57.99 3a3t h GLN 158 Cb 0.92 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 3a3t h GLN 158 CO 0.08 1.17 0.16 0.00 -2.65 0.00 0.00 178.83 177.58 3a3t h ALA 159 N 0.71 0.37 -0.34 3.38 0.00 -0.95 -0.01 119.26 122.43 3a3t h ALA 159 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a3t h ALA 159 Cb 1.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3a3t h ALA 159 CO 0.13 -0.22 0.21 0.00 0.00 0.00 0.00 179.25 179.37 3a3t h ARG 160 N 0.33 0.46 -0.97 0.00 3.08 -1.04 -2.44 114.38 113.80 3a3t h ARG 160 Ca 0.12 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.15 3a3t h ARG 160 Cb 0.03 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 3a3t h ARG 160 CO -0.08 0.34 0.64 0.00 -1.07 0.00 0.00 179.97 179.80 3a3t h ALA 161 N 1.09 1.31 -0.70 0.04 0.00 -0.78 -1.40 119.26 118.82 3a3t h ALA 161 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3a3t h ALA 161 Cb -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 3a3t h ALA 161 CO -0.02 0.64 0.30 -0.44 0.00 0.00 0.00 179.25 179.73 3a3t h ASP 162 N 1.32 0.93 -0.19 0.00 3.32 -0.72 -1.84 116.42 119.23 3a3t h ASP 162 Ca 0.36 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 57.14 3a3t h ASP 162 Cb -0.15 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 3a3t h ASP 162 CO -0.08 0.82 -0.39 0.50 -1.72 0.00 0.00 179.24 178.37 3a3t h LYS 163 N 1.01 0.73 -0.83 3.56 1.63 -0.92 -1.40 116.57 120.35 3a3t h LYS 163 Ca 0.24 -0.38 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 3a3t h LYS 163 Cb 0.16 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 3a3t h LYS 163 CO -0.02 0.99 0.55 0.52 -3.45 0.00 0.00 179.45 178.04 3a3t h MET 164 N 0.60 1.09 -0.39 1.90 2.86 -0.95 0.75 114.93 120.79 3a3t h MET 164 Ca 0.05 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3a3t h MET 164 Cb 0.94 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 3a3t h MET 164 CO 0.09 0.72 0.15 0.37 1.06 0.00 0.00 176.91 179.29 3a3t h GLN 165 N 1.12 0.58 -0.67 1.72 4.15 -1.13 -0.75 115.11 120.13 3a3t h GLN 165 Ca 0.31 -0.11 0.03 0.00 0.77 0.00 0.00 58.65 59.64 3a3t h GLN 165 Cb -0.12 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.43 3a3t h GLN 165 CO -0.07 0.56 0.42 1.49 -1.93 0.00 0.00 178.83 179.30 3a3t h GLU 166 N 0.48 0.79 -0.61 1.69 4.22 -0.79 -1.10 114.58 119.27 3a3t h GLU 166 Ca 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 3a3t h GLU 166 Cb 0.20 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3a3t h GLU 166 CO -0.01 0.52 0.30 -0.07 -2.18 0.00 0.00 179.01 177.57 3a3t h LEU 167 N 0.82 0.79 0.25 1.64 3.38 -0.65 0.34 115.31 121.87 3a3t h LEU 167 Ca 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3a3t h LEU 167 Cb 0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3a3t h LEU 167 CO -0.11 0.69 -0.24 0.74 0.09 0.00 0.00 178.44 179.62 3a3t h THR 168 N 0.83 0.48 -0.11 0.22 2.02 -0.49 -2.12 112.91 113.74 3a3t h THR 168 Ca 0.21 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.31 3a3t h THR 168 Cb 0.11 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3a3t h THR 168 CO -0.03 0.00 -0.24 -0.33 0.37 0.00 0.00 175.52 175.29 3a3t h GLU 169 N -0.52 0.36 -0.32 6.66 5.08 -1.11 0.10 114.58 124.83 3a3t h GLU 169 Ca -0.01 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3a3t h GLU 169 Cb 0.48 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3a3t h GLU 169 CO -0.05 0.84 0.13 1.15 -1.00 0.00 0.00 179.01 180.08 3a3t h THR 170 N -0.08 0.94 -0.55 1.13 2.02 -0.36 -2.46 112.91 113.55 3a3t h THR 170 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3a3t h THR 170 Cb 0.84 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3a3t h THR 170 CO 0.05 0.05 0.00 0.49 0.37 0.00 0.00 175.52 176.48 3a3t n PHE 171 N -5.00 0.73 -3.77 3.16 3.72 -0.80 -4.96 117.46 110.53 3a3t n PHE 171 Ca 0.00 -0.36 -0.25 0.00 -0.05 0.00 0.00 57.45 56.79 3a3t n PHE 171 Cb 0.10 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 3a3t n PHE 171 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3a3t n GLN 172 N 1.35 -5.44 -2.00 -1.08 6.02 -0.15 -4.87 117.38 111.20 3a3t n GLN 172 Ca 0.21 0.63 -0.39 0.00 -0.01 0.00 0.00 57.00 57.44 3a3t n GLN 172 Cb 0.55 -5.38 -0.03 0.00 1.02 0.00 0.00 30.24 26.40 3a3t n GLN 172 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3a3t s ILE 173 N -3.49 3.36 -1.72 5.09 -1.09 -0.19 -4.80 121.20 118.36 3a3t s ILE 173 Ca 0.31 0.25 0.16 0.00 -2.23 0.00 0.00 60.65 59.14 3a3t s ILE 173 Cb -0.15 -3.83 0.29 0.00 -1.58 0.00 0.00 42.46 37.19 3a3t s ILE 173 CO 0.81 -0.76 1.20 -0.90 -1.23 0.00 0.00 174.94 174.06 3a3t n ASP 174 N 12.53 2.87 -3.88 3.58 5.68 -1.26 -4.89 116.55 131.19 3a3t n ASP 174 Ca 0.22 -1.84 -0.10 0.00 -0.50 0.00 0.00 54.79 52.57 3a3t n ASP 174 Cb 0.51 -0.17 -0.09 0.00 -1.14 0.00 0.00 41.12 40.24 3a3t n ASP 174 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3a3t s GLY 175 N -1.19 0.08 -0.01 6.12 0.00 -1.26 -5.16 107.32 105.90 3a3t s GLY 175 Ca 0.27 -0.38 0.03 0.00 0.00 0.00 0.00 44.72 44.64 3a3t s GLY 175 CO 0.22 -0.54 -0.10 -0.51 0.00 0.00 0.00 173.10 172.17 3a3t s THR 176 N -2.57 0.78 0.54 0.90 -4.23 -1.26 -3.82 115.64 105.98 3a3t s THR 176 Ca -0.05 -0.42 -0.17 0.00 -1.18 0.00 0.00 61.69 59.87 3a3t s THR 176 Cb -0.01 -0.66 -0.06 0.00 1.34 0.00 0.00 72.50 73.11 3a3t s THR 176 CO -0.04 0.22 1.03 -2.16 -0.54 0.00 0.00 174.62 173.13 3a3t s PRO 177 N -0.19 3.63 -0.11 3.99 0.05 -1.26 -4.79 135.00 136.32 3a3t s PRO 177 Ca 0.03 1.17 0.01 0.00 0.05 0.00 0.00 61.00 62.26 3a3t s PRO 177 Cb -0.04 -2.08 0.02 0.00 0.05 0.00 0.00 34.50 32.45 3a3t s PRO 177 CO -0.00 -0.55 -0.13 0.99 0.05 0.00 0.00 177.00 177.36 3a3t s THR 178 N -2.38 1.35 -0.16 1.26 2.01 -0.47 -5.00 115.64 112.25 3a3t s THR 178 Ca 0.63 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.11 3a3t s THR 178 Cb -0.14 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.11 3a3t s THR 178 CO 0.31 0.41 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.78 3a3t s VAL 179 N 1.19 2.38 -0.04 3.82 1.01 -1.26 -0.03 120.40 127.48 3a3t s VAL 179 Ca -0.03 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3a3t s VAL 179 Cb -0.14 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3a3t s VAL 179 CO -0.04 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 174.81 3a3t s ILE 180 N 0.99 3.02 -0.11 2.22 -1.09 0.89 -1.29 121.20 125.84 3a3t s ILE 180 Ca -0.02 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.63 3a3t s ILE 180 Cb -0.15 -2.19 -0.01 0.00 -1.58 0.00 0.00 42.46 38.54 3a3t s ILE 180 CO -0.04 0.56 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.33 3a3t s VAL 181 N -0.76 2.39 -0.08 2.92 1.01 0.11 -0.52 120.40 125.47 3a3t s VAL 181 Ca 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3a3t s VAL 181 Cb -0.11 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3a3t s VAL 181 CO 0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3a3t n GLY 182 N 3.51 0.33 3.09 4.51 0.00 -0.38 -2.10 105.19 114.15 3a3t n GLY 182 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3a3t n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a3t n GLY 183 N -1.12 2.55 0.03 -0.02 0.00 -1.26 -4.78 105.19 100.59 3a3t n GLY 183 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3a3t n GLY 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a3t n LYS 184 N -2.00 2.89 -4.15 1.61 5.02 -1.03 -1.17 118.16 119.32 3a3t n LYS 184 Ca 0.00 -0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 3a3t n LYS 184 Cb 0.00 -1.15 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 3a3t n LYS 184 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3a3t s TYR 185 N -2.14 2.82 -0.23 2.13 2.02 -0.89 -0.85 117.35 120.21 3a3t s TYR 185 Ca -0.03 -1.38 -0.17 0.00 -0.37 0.00 0.00 57.07 55.12 3a3t s TYR 185 Cb 0.02 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3a3t s TYR 185 CO 0.23 -0.69 0.47 0.21 -1.57 0.00 0.00 175.55 174.20 3a3t s LYS 186 N 1.25 4.13 0.17 -0.62 2.20 0.88 0.07 119.74 127.82 3a3t s LYS 186 Ca 0.03 0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.62 3a3t s LYS 186 Cb -0.14 -3.59 -0.10 0.00 -1.51 0.00 0.00 37.83 32.49 3a3t s LYS 186 CO -0.08 -0.20 1.54 0.08 -0.36 0.00 0.00 175.35 176.33 3a3t s VAL 187 N 1.80 2.67 -0.45 4.02 1.01 -0.41 -0.10 120.40 128.95 3a3t s VAL 187 Ca 0.21 0.49 -0.15 0.00 0.00 0.00 0.00 61.98 62.53 3a3t s VAL 187 Cb -0.15 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 32.97 3a3t s VAL 187 CO 0.09 0.04 0.35 -1.61 0.00 0.00 0.00 175.10 173.97 3a3t s GLU 188 N 0.98 2.93 0.03 2.72 0.41 0.06 -4.70 118.70 121.13 3a3t s GLU 188 Ca 0.69 -1.26 -0.30 0.00 -0.41 0.00 0.00 54.97 53.69 3a3t s GLU 188 Cb -0.43 -4.04 -0.04 0.00 -1.78 0.00 0.00 34.13 27.84 3a3t s GLU 188 CO 0.32 -0.93 0.96 -0.06 -0.49 0.00 0.00 175.26 175.06 3a3t s PHE 189 N 1.63 3.70 0.00 1.61 0.08 -1.26 -4.66 117.98 119.07 3a3t s PHE 189 Ca 0.04 1.70 0.00 0.00 0.12 0.00 0.00 56.93 58.79 3a3t s PHE 189 Cb -0.22 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 3a3t s PHE 189 CO 0.07 0.06 0.00 0.00 -0.10 0.00 0.00 175.22 175.25 3a3t n ALA 190 N 3.57 0.00 -2.66 5.36 0.00 -1.26 -5.01 120.51 120.51 3a3t n ALA 190 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.21 3a3t n ALA 190 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 3a3t n ALA 190 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3a3t s ASP 191 N -1.00 4.82 0.19 0.00 -4.77 -1.26 -5.04 116.67 109.61 3a3t s ASP 191 Ca 0.00 -0.33 -0.12 0.00 -3.30 0.00 0.00 52.55 48.80 3a3t s ASP 191 Cb 0.00 -1.06 0.15 0.00 -1.09 0.00 0.00 42.92 40.92 3a3t s ASP 191 CO 0.00 0.12 1.82 -0.50 0.70 0.00 0.00 175.17 177.31 3a3t h TRP 192 N 3.01 0.64 0.46 2.11 -0.00 -1.99 -2.23 115.95 117.95 3a3t h TRP 192 Ca -0.47 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.43 3a3t h TRP 192 Cb 1.19 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 30.13 3a3t h TRP 192 CO 0.61 0.35 -0.40 0.93 -0.00 0.00 0.00 178.44 179.93 3a3t h GLU 193 N 0.67 -0.83 -0.52 0.49 3.07 -2.00 -1.68 114.58 113.78 3a3t h GLU 193 Ca 0.24 0.06 0.07 0.00 -0.50 0.00 0.00 59.36 59.23 3a3t h GLU 193 Cb 0.06 0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 3a3t h GLU 193 CO -0.12 -0.56 0.35 0.66 -1.40 0.00 0.00 179.01 177.94 3a3t h SER 194 N -0.86 0.36 -0.73 1.42 4.64 -1.97 -0.92 113.55 115.47 3a3t h SER 194 Ca -0.05 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3a3t h SER 194 Cb 0.75 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 3a3t h SER 194 CO -0.03 0.23 0.48 1.23 -0.87 0.00 0.00 176.83 177.88 3a3t h GLY 195 N 0.41 0.89 2.00 -0.77 0.00 -0.67 0.76 103.07 105.69 3a3t h GLY 195 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3a3t h GLY 195 CO -0.06 0.15 -0.07 -0.33 0.00 0.00 0.00 176.54 176.23 3a3t h MET 196 N 0.62 0.00 -0.11 4.80 2.86 -0.83 -0.46 114.93 121.82 3a3t h MET 196 Ca 0.34 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.87 3a3t h MET 196 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3a3t h MET 196 CO -0.12 0.07 -0.35 -0.91 1.06 0.00 0.00 176.91 176.66 3a3t h ASN 197 N 0.00 0.50 -0.81 1.22 -0.26 -0.93 -2.33 115.58 112.97 3a3t h ASN 197 Ca -0.00 -0.61 0.10 0.00 -0.56 0.00 0.00 56.30 55.23 3a3t h ASN 197 Cb 0.14 -0.15 -0.08 0.00 -1.06 0.00 0.00 38.32 37.18 3a3t h ASN 197 CO 0.01 1.02 0.45 0.74 -1.06 0.00 0.00 177.43 178.59 3a3t h THR 198 N 0.00 0.87 -0.48 2.81 2.02 -1.01 -0.33 112.91 116.80 3a3t h THR 198 Ca -0.01 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.92 3a3t h THR 198 Cb 0.97 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3a3t h THR 198 CO 0.07 0.13 0.31 0.40 0.37 0.00 0.00 175.52 176.81 3a3t h ILE 199 N 0.74 1.10 -0.45 3.11 2.04 -1.04 0.66 117.51 123.67 3a3t h ILE 199 Ca 0.40 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3a3t h ILE 199 Cb 0.40 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3a3t h ILE 199 CO -0.27 0.11 0.16 0.44 0.00 0.00 0.00 178.15 178.59 3a3t h ASP 200 N 0.63 0.64 -0.39 1.72 3.32 -0.77 -1.14 116.42 120.42 3a3t h ASP 200 Ca 0.18 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3a3t h ASP 200 Cb -0.04 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3a3t h ASP 200 CO -0.06 0.66 0.19 -0.07 -1.72 0.00 0.00 179.24 178.25 3a3t h LEU 201 N 0.58 0.51 -1.49 1.55 3.38 -0.75 -1.98 115.31 117.12 3a3t h LEU 201 Ca 0.15 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a3t h LEU 201 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3a3t h LEU 201 CO -0.01 0.49 0.28 -0.07 0.09 0.00 0.00 178.44 179.22 3a3t h LEU 202 N 0.50 0.55 -0.35 1.67 3.38 -0.72 -1.37 115.31 118.95 3a3t h LEU 202 Ca 0.14 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3a3t h LEU 202 Cb 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3a3t h LEU 202 CO -0.02 0.42 -0.22 0.00 0.09 0.00 0.00 178.44 178.71 3a3t h ALA 203 N 1.67 0.50 -0.80 1.53 0.00 -0.67 0.32 119.26 121.82 3a3t h ALA 203 Ca 0.17 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3a3t h ALA 203 Cb -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3a3t h ALA 203 CO -0.03 0.47 0.48 -0.44 0.00 0.00 0.00 179.25 179.73 3a3t h ASP 204 N 0.56 0.96 -0.90 0.00 3.32 -1.03 0.49 116.42 119.81 3a3t h ASP 204 Ca 0.07 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3a3t h ASP 204 Cb 0.78 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 3a3t h ASP 204 CO 0.06 0.74 0.60 0.50 -1.72 0.00 0.00 179.24 179.42 3a3t h LYS 205 N 1.09 1.19 -0.26 3.56 3.64 -0.93 -1.52 116.57 123.35 3a3t h LYS 205 Ca 0.29 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 3a3t h LYS 205 Cb -0.04 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 3a3t h LYS 205 CO -0.05 0.79 -0.49 0.28 -2.27 0.00 0.00 179.45 177.70 3a3t h VAL 206 N 1.22 1.30 -0.52 2.00 2.07 -0.20 -2.56 116.25 119.55 3a3t h VAL 206 Ca 0.33 -1.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 3a3t h VAL 206 Cb -0.14 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3a3t h VAL 206 CO -0.07 0.54 -0.04 0.03 0.02 0.00 0.00 177.57 178.05 3a3t h ARG 207 N 0.56 0.92 -0.34 1.57 3.08 -0.45 -1.58 114.38 118.14 3a3t h ARG 207 Ca 0.03 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 3a3t h ARG 207 Cb 1.06 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 3a3t h ARG 207 CO 0.10 0.93 0.16 0.93 -1.07 0.00 0.00 179.97 181.03 3a3t h GLU 208 N 0.84 0.49 -0.83 0.04 4.39 -1.27 -2.94 114.58 115.29 3a3t h GLU 208 Ca 0.15 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.81 3a3t h GLU 208 Cb 0.55 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 3a3t h GLU 208 CO 0.03 0.44 0.54 0.93 -1.16 0.00 0.00 179.01 179.79 3a3t h GLU 209 N 0.41 1.02 0.00 2.33 5.08 -1.17 -1.67 114.58 120.58 3a3t h GLU 209 Ca 0.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3a3t h GLU 209 Cb 0.12 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3a3t h GLU 209 CO -0.01 0.67 -0.01 1.96 -1.00 0.00 0.00 179.01 180.62 3a3t h GLN 210 N 1.05 0.00 -4.00 2.33 4.20 -1.12 -3.26 115.11 114.30 3a3t h GLN 210 Ca 0.33 0.00 -0.77 0.00 0.06 0.00 0.00 58.65 58.27 3a3t h GLN 210 Cb -0.00 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.53 3a3t h GLN 210 CO -0.11 0.01 0.08 0.15 -0.67 0.00 0.00 178.83 178.29 3a3t s LYS 211 N -4.11 3.45 0.00 1.46 1.02 -0.63 -5.11 119.74 115.82 3a3t s LYS 211 Ca -0.04 -2.21 0.00 0.00 0.02 0.00 0.00 55.97 53.75 3a3t s LYS 211 Cb 0.12 -4.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.01 3a3t s LYS 211 CO 0.46 -1.34 0.00 0.00 -0.92 0.00 0.00 175.35 173.55