#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3t n ASP -3 N 0.00 2.36 -4.80 -1.12 9.92 -1.26 -4.98 116.55 116.67 3a3t n ASP -3 Ca 0.00 1.08 -0.34 0.00 -0.53 0.00 0.00 54.79 55.00 3a3t n ASP -3 Cb 0.00 -1.49 -0.03 0.00 -0.64 0.00 0.00 41.12 38.96 3a3t n ASP -3 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3a3t s ASP -2 N -0.61 6.36 0.12 -2.24 1.11 -1.26 -5.08 116.67 115.07 3a3t s ASP -2 Ca 0.63 1.88 0.05 0.00 0.18 0.00 0.00 52.55 55.29 3a3t s ASP -2 Cb -0.50 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 40.90 3a3t s ASP -2 CO 0.57 -0.77 -0.13 -0.54 1.18 0.00 0.00 175.17 175.48 3a3t s LYS -1 N -3.35 1.00 0.17 8.23 1.02 -1.25 -5.06 119.74 120.51 3a3t s LYS -1 Ca 0.66 -1.24 -0.34 0.00 0.02 0.00 0.00 55.97 55.07 3a3t s LYS -1 Cb -0.15 -0.83 -0.14 0.00 -0.52 0.00 0.00 37.83 36.19 3a3t s LYS -1 CO 0.21 0.15 1.56 0.00 -0.92 0.00 0.00 175.35 176.35 3a3t n ALA 24 N 0.48 1.29 -0.75 5.17 0.00 -1.26 -0.98 120.51 124.47 3a3t n ALA 24 Ca -0.15 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3a3t n ALA 24 Cb 0.57 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 3.27 0.90 2.33 0.00 0.00 -1.26 -4.91 105.19 105.52 3a3t n GLY 25 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 3a3t n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a3t n LEU 26 N 0.00 1.26 -4.31 0.99 0.00 -0.15 -4.41 117.00 110.38 3a3t n LEU 26 Ca 0.00 -4.84 -0.34 0.00 0.00 0.00 0.00 56.01 50.83 3a3t n LEU 26 Cb 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 43.42 43.84 3a3t n LEU 26 CO 0.00 2.17 -0.41 -0.69 0.00 0.00 0.00 177.39 178.46 3a3t s VAL 27 N -2.75 3.23 0.19 1.96 1.01 -1.25 -3.75 120.40 119.04 3a3t s VAL 27 Ca 0.39 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.50 3a3t s VAL 27 Cb 0.36 -2.44 -0.10 0.00 0.00 0.00 0.00 36.38 34.20 3a3t s VAL 27 CO -0.07 0.45 1.53 -0.70 0.00 0.00 0.00 175.10 176.32 3a3t s GLU 28 N 1.22 4.23 0.00 2.72 2.12 -1.26 -0.52 118.70 127.21 3a3t s GLU 28 Ca 0.03 2.35 0.00 0.00 0.36 0.00 0.00 54.97 57.71 3a3t s GLU 28 Cb -0.14 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.11 3a3t s GLU 28 CO -0.02 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 3a3t n GLY 29 N 3.26 2.36 0.88 -1.50 0.00 0.99 -4.79 105.19 106.39 3a3t n GLY 29 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 0.08 -0.01 1.61 -0.06 -0.79 -4.85 117.38 111.37 3a3t n GLN 30 Ca 0.00 0.04 0.08 0.00 -2.00 0.00 0.00 57.00 55.11 3a3t n GLN 30 Cb 0.00 -0.64 -0.11 0.00 -4.06 0.00 0.00 30.24 25.43 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 -3.26 1.29 -3.48 1.69 3.02 0.33 -4.71 115.26 110.15 3a3t n ASN 31 Ca -0.07 -0.19 -0.12 0.00 -0.03 0.00 0.00 54.58 54.17 3a3t n ASN 31 Cb 0.47 1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 41.16 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 -2.92 -0.46 0.10 3.10 -0.85 -1.18 -0.64 117.35 114.50 3a3t s TYR 32 Ca -0.03 0.22 0.08 0.00 -0.52 0.00 0.00 57.07 56.82 3a3t s TYR 32 Cb 0.10 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 3a3t s TYR 32 CO 0.64 -0.84 -0.20 0.99 -1.52 0.00 0.00 175.55 174.62 3a3t s THR 33 N -3.77 1.67 -0.22 -3.49 2.01 0.40 -0.01 115.64 112.23 3a3t s THR 33 Ca 0.02 -1.51 -0.10 0.00 0.31 0.00 0.00 61.69 60.40 3a3t s THR 33 Cb -0.01 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 3a3t s THR 33 CO -0.12 -0.06 0.14 -0.69 -0.69 0.00 0.00 174.62 173.20 3a3t s VAL 34 N -1.15 5.35 0.15 3.82 1.01 -1.26 -0.52 120.40 127.80 3a3t s VAL 34 Ca 0.06 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3a3t s VAL 34 Cb -0.10 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 3a3t s VAL 34 CO 0.04 0.39 1.32 -0.76 0.00 0.00 0.00 175.10 176.08 3a3t s LEU 35 N 0.77 4.40 0.20 3.92 1.02 0.11 -4.93 118.68 124.16 3a3t s LEU 35 Ca 0.08 2.32 -0.10 0.00 0.02 0.00 0.00 54.13 56.45 3a3t s LEU 35 Cb -0.12 -3.60 0.13 0.00 0.02 0.00 0.00 46.19 42.62 3a3t s LEU 35 CO 0.02 -0.55 1.77 0.00 0.02 0.00 0.00 176.35 177.61 3a3t h ALA 36 N 5.99 0.94 -3.15 4.21 0.00 -1.97 -3.40 119.26 121.87 3a3t h ALA 36 Ca -0.43 -0.17 -0.61 0.00 0.00 0.00 0.00 54.91 53.70 3a3t h ALA 36 Cb 1.21 -0.28 -0.36 0.00 0.00 0.00 0.00 17.79 18.36 3a3t h ALA 36 CO 0.81 0.53 -0.83 -0.80 0.00 0.00 0.00 179.25 178.95 3a3t s ASN 37 N -6.20 2.81 0.49 0.00 0.01 -1.26 -5.12 114.94 105.67 3a3t s ASN 37 Ca -0.13 -0.55 -0.23 0.00 -0.71 0.00 0.00 52.86 51.25 3a3t s ASN 37 Cb 0.15 -1.21 -0.06 0.00 0.41 0.00 0.00 41.25 40.53 3a3t s ASN 37 CO 0.82 -0.06 1.27 -2.84 -1.51 0.00 0.00 177.10 174.78 3a3t s PRO 38 N 1.46 3.49 -0.22 -0.60 0.02 -1.26 -5.00 135.00 132.89 3a3t s PRO 38 Ca 0.04 2.04 -0.18 0.00 0.02 0.00 0.00 61.00 62.92 3a3t s PRO 38 Cb -0.13 -2.38 -0.03 0.00 0.02 0.00 0.00 34.50 31.98 3a3t s PRO 38 CO -0.11 -0.85 0.52 0.42 -0.33 0.00 0.00 177.00 176.66 3a3t s ILE 39 N -1.40 5.09 0.23 2.83 1.01 -0.39 -5.02 121.20 123.55 3a3t s ILE 39 Ca 0.67 0.95 -0.32 0.00 0.00 0.00 0.00 60.65 61.95 3a3t s ILE 39 Cb -0.35 -3.84 -0.12 0.00 0.01 0.00 0.00 42.46 38.15 3a3t s ILE 39 CO 0.43 0.15 1.68 -2.65 0.00 0.00 0.00 174.94 174.54 3a3t n PRO 40 N 5.02 2.72 -1.61 2.79 -0.02 -1.26 -4.37 135.00 138.27 3a3t n PRO 40 Ca -0.04 0.98 -0.31 0.00 -2.02 0.00 0.00 63.50 62.10 3a3t n PRO 40 Cb 0.50 -2.80 0.05 0.00 -0.02 0.00 0.00 33.50 31.23 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 0.64 2.91 0.15 -0.52 -0.21 -1.26 -4.98 119.66 116.39 3a3t s GLN 41 Ca 0.72 1.02 -0.05 0.00 0.02 0.00 0.00 55.36 57.07 3a3t s GLN 41 Cb -0.51 -1.98 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 3a3t s GLN 41 CO 0.38 -1.12 1.39 1.96 -2.12 0.00 0.00 175.29 175.77 3a3t h GLN 42 N -0.58 0.55 -5.15 2.91 4.20 -2.00 -3.43 115.11 111.60 3a3t h GLN 42 Ca -0.44 -0.45 -0.67 0.00 0.06 0.00 0.00 58.65 57.15 3a3t h GLN 42 Cb 1.21 0.09 -0.33 0.00 0.30 0.00 0.00 27.48 28.76 3a3t h GLN 42 CO 0.56 1.07 -0.84 -0.65 -0.67 0.00 0.00 178.83 178.31 3a3t s GLN 43 N -3.67 3.10 0.34 1.46 -0.21 -1.26 -5.04 119.66 114.38 3a3t s GLN 43 Ca -0.07 -0.80 0.16 0.00 0.02 0.00 0.00 55.36 54.66 3a3t s GLN 43 Cb 0.10 -2.56 0.55 0.00 1.00 0.00 0.00 33.01 32.10 3a3t s GLN 43 CO 0.86 -0.06 1.68 0.00 -2.12 0.00 0.00 175.29 175.65 3a3t h ALA 44 N 7.52 0.98 -0.21 6.09 0.00 -2.02 -3.26 119.26 128.35 3a3t h ALA 44 Ca -0.36 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3a3t h ALA 44 Cb 1.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3a3t h ALA 44 CO 0.58 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.82 3a3t n GLY 45 N 0.27 1.20 1.15 0.00 0.00 -1.26 -4.98 105.19 101.56 3a3t n GLY 45 Ca -0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 3a3t n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a3t n LYS 46 N 1.23 1.45 -3.64 1.61 5.02 -1.23 -5.08 118.16 117.52 3a3t n LYS 46 Ca 0.17 -1.11 -0.40 0.00 -2.02 0.00 0.00 58.31 54.95 3a3t n LYS 46 Cb 0.56 0.22 -0.11 0.00 -0.02 0.00 0.00 35.03 35.68 3a3t n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a3t s VAL 47 N -1.24 4.33 -0.06 -0.18 1.01 0.90 -4.99 120.40 120.17 3a3t s VAL 47 Ca 0.04 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3a3t s VAL 47 Cb -0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3a3t s VAL 47 CO 0.03 -0.25 0.56 -0.70 0.00 0.00 0.00 175.10 174.73 3a3t s GLU 48 N 1.50 4.33 -0.34 2.72 2.12 -1.26 -1.63 118.70 126.14 3a3t s GLU 48 Ca 0.01 0.63 -0.10 0.00 0.36 0.00 0.00 54.97 55.87 3a3t s GLU 48 Cb -0.20 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.81 3a3t s GLU 48 CO 0.05 0.24 0.18 0.08 -0.54 0.00 0.00 175.26 175.28 3a3t s VAL 49 N 0.29 4.64 -0.28 3.70 1.01 0.89 -1.17 120.40 129.47 3a3t s VAL 49 Ca 0.30 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 3a3t s VAL 49 Cb -0.17 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 3a3t s VAL 49 CO 0.14 -0.08 0.08 -0.22 0.00 0.00 0.00 175.10 175.03 3a3t s LEU 50 N 1.59 3.74 -0.27 3.92 2.96 0.93 0.28 118.68 131.84 3a3t s LEU 50 Ca 0.04 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.32 3a3t s LEU 50 Cb -0.18 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 3a3t s LEU 50 CO 0.07 -0.15 0.06 -0.70 -1.32 0.00 0.00 176.35 174.31 3a3t s GLU 51 N 1.54 3.35 -0.12 1.98 2.12 0.28 0.30 118.70 128.14 3a3t s GLU 51 Ca 0.04 -0.68 -0.19 0.00 0.36 0.00 0.00 54.97 54.50 3a3t s GLU 51 Cb -0.17 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 3a3t s GLU 51 CO 0.03 -0.31 0.53 -0.06 -0.54 0.00 0.00 175.26 174.91 3a3t s PHE 52 N 1.54 3.51 0.25 5.30 0.08 0.20 -1.40 117.98 127.45 3a3t s PHE 52 Ca 0.05 0.95 -0.00 0.00 0.12 0.00 0.00 56.93 58.05 3a3t s PHE 52 Cb -0.16 -2.62 -0.03 0.00 -0.57 0.00 0.00 43.02 39.64 3a3t s PHE 52 CO 0.02 0.11 0.22 -0.59 -0.10 0.00 0.00 175.22 174.88 3a3t s PHE 53 N 0.81 1.23 -0.00 0.36 -0.71 -0.48 -1.19 117.98 118.00 3a3t s PHE 53 Ca 0.28 -1.39 0.01 0.00 -1.04 0.00 0.00 56.93 54.79 3a3t s PHE 53 Cb -0.16 -0.50 -0.00 0.00 -1.21 0.00 0.00 43.02 41.15 3a3t s PHE 53 CO 0.12 -0.76 -0.03 0.20 -1.34 0.00 0.00 175.22 173.41 3a3t s GLY 54 N -3.21 0.14 0.13 1.99 0.00 -1.26 -1.57 107.32 103.55 3a3t s GLY 54 Ca 0.37 -0.14 0.17 0.00 0.00 0.00 0.00 44.72 45.12 3a3t s GLY 54 CO 0.16 -0.13 1.53 -1.72 0.00 0.00 0.00 173.10 172.95 3a3t n TYR 55 N 2.94 0.39 1.17 1.90 4.01 -1.26 -1.49 117.16 124.83 3a3t n TYR 55 Ca -0.13 0.16 0.13 0.00 -0.16 0.00 0.00 57.90 57.90 3a3t n TYR 55 Cb 0.59 -0.77 0.30 0.00 -0.31 0.00 0.00 39.34 39.15 3a3t n TYR 55 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 3a3t n PHE 56 N -1.87 0.04 -3.50 -0.72 -1.74 -1.26 -4.29 117.46 104.13 3a3t n PHE 56 Ca 0.02 -0.02 -0.42 0.00 -0.56 0.00 0.00 57.45 56.47 3a3t n PHE 56 Cb 0.16 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.06 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 8.56 0.60 -0.61 0.00 0.11 -1.90 0.86 132.00 139.62 3a3t h PRO 58 Ca -0.28 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.81 3a3t h PRO 58 Cb 1.13 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3a3t h PRO 58 CO 0.69 0.40 0.39 0.45 -0.21 0.00 0.00 178.00 179.72 3a3t h HIS 59 N 0.62 0.73 -0.88 0.65 3.86 -1.93 -1.04 115.15 117.17 3a3t h HIS 59 Ca 0.23 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 3a3t h HIS 59 Cb 0.08 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.26 3a3t h HIS 59 CO -0.08 0.44 0.58 0.00 0.86 0.00 0.00 177.93 179.73 3a3t h ALA 61 N 1.34 2.05 0.12 0.00 0.00 0.41 0.40 119.26 123.58 3a3t h ALA 61 Ca 0.33 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.96 3a3t h ALA 61 Cb -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3a3t h ALA 61 CO -0.09 -0.13 -1.35 0.45 0.00 0.00 0.00 179.25 178.13 3a3t h HIS 62 N 0.25 0.46 -0.28 0.00 3.86 -0.47 -3.38 115.15 115.59 3a3t h HIS 62 Ca 0.18 -0.33 -0.05 0.00 -1.16 0.00 0.00 60.37 59.00 3a3t h HIS 62 Cb 0.38 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3a3t h HIS 62 CO -0.00 1.53 -0.03 1.25 0.86 0.00 0.00 177.93 181.54 3a3t h LEU 63 N -0.31 0.50 -0.76 2.43 5.85 -0.41 -3.32 115.31 119.30 3a3t h LEU 63 Ca -0.29 -0.34 0.15 0.00 0.84 0.00 0.00 57.88 58.25 3a3t h LEU 63 Cb 1.75 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 42.55 3a3t h LEU 63 CO 0.07 0.72 0.30 -0.08 -0.34 0.00 0.00 178.44 179.11 3a3t h GLU 64 N 0.28 0.42 -0.23 1.25 4.22 -0.37 0.14 114.58 120.28 3a3t h GLU 64 Ca 0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 3a3t h GLU 64 Cb 0.48 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3a3t h GLU 64 CO 0.02 0.28 0.04 -1.35 -2.18 0.00 0.00 179.01 175.82 3a3t h PRO 65 N 0.43 0.39 -0.49 0.92 0.11 -1.75 -1.14 132.00 130.46 3a3t h PRO 65 Ca 0.42 -0.10 0.06 0.00 0.11 0.00 0.00 66.00 66.49 3a3t h PRO 65 Cb 0.66 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.67 3a3t h PRO 65 CO -0.42 0.52 0.20 0.28 -0.21 0.00 0.00 178.00 178.38 3a3t h VAL 66 N 0.19 0.88 -0.12 3.15 2.07 -1.13 0.02 116.25 121.31 3a3t h VAL 66 Ca 0.07 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3a3t h VAL 66 Cb 0.32 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3a3t h VAL 66 CO 0.00 0.07 -0.01 0.25 0.02 0.00 0.00 177.57 177.91 3a3t h LEU 67 N 0.40 0.21 -0.45 2.57 5.85 -0.78 -1.35 115.31 121.76 3a3t h LEU 67 Ca 0.23 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3a3t h LEU 67 Cb 0.21 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3a3t h LEU 67 CO -0.21 0.49 0.21 -1.28 -0.34 0.00 0.00 178.44 177.31 3a3t h SER 68 N -0.07 0.30 0.01 1.25 0.87 -1.03 0.21 113.55 115.09 3a3t h SER 68 Ca 0.03 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3a3t h SER 68 Cb 0.38 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3a3t h SER 68 CO 0.01 0.21 -0.17 0.50 -0.53 0.00 0.00 176.83 176.85 3a3t h LYS 69 N 0.43 -0.28 -0.80 2.24 1.63 -0.94 -2.48 116.57 116.37 3a3t h LYS 69 Ca 0.20 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.04 3a3t h LYS 69 Cb 0.12 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 3a3t h LYS 69 CO -0.15 -0.19 0.53 1.25 -3.45 0.00 0.00 179.45 177.44 3a3t h HIS 70 N -0.29 0.98 0.00 1.91 2.76 -0.67 -1.45 115.15 118.38 3a3t h HIS 70 Ca 0.05 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3a3t h HIS 70 Cb 0.35 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 3a3t h HIS 70 CO -0.22 0.59 -0.09 0.00 -1.30 0.00 0.00 177.93 176.92 3a3t h ALA 71 N 1.52 1.52 0.00 5.26 0.00 -0.16 -2.19 119.26 125.20 3a3t h ALA 71 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3a3t h ALA 71 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3a3t h ALA 71 CO -0.08 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.91 3a3t n LYS 72 N -3.94 0.04 -0.02 0.00 5.02 -0.55 -1.75 118.16 116.97 3a3t n LYS 72 Ca -0.02 0.27 0.01 0.00 -2.02 0.00 0.00 58.31 56.55 3a3t n LYS 72 Cb 0.18 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 3a3t n LYS 72 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3a3t n SER 73 N -1.44 2.09 -4.60 4.39 3.41 -0.82 -5.03 113.62 111.61 3a3t n SER 73 Ca 0.03 -2.12 -0.33 0.00 -0.26 0.00 0.00 58.87 56.19 3a3t n SER 73 Cb 0.12 -0.06 0.12 0.00 -0.26 0.00 0.00 64.21 64.14 3a3t n SER 73 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3a3t n PHE 74 N -0.56 0.34 -1.58 7.33 3.72 -0.71 -5.02 117.46 120.98 3a3t n PHE 74 Ca 0.02 0.36 -0.29 0.00 -0.05 0.00 0.00 57.45 57.49 3a3t n PHE 74 Cb 0.30 -2.00 0.16 0.00 -0.94 0.00 0.00 39.48 37.01 3a3t n PHE 74 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3a3t s LYS 75 N -3.87 0.64 0.61 -1.08 1.02 -1.26 -4.93 119.74 110.86 3a3t s LYS 75 Ca 0.68 0.04 0.36 0.00 0.02 0.00 0.00 55.97 57.06 3a3t s LYS 75 Cb -0.28 -1.80 1.99 0.00 -0.52 0.00 0.00 37.83 37.22 3a3t s LYS 75 CO 0.56 -2.49 2.26 -0.44 -0.92 0.00 0.00 175.35 174.32 3a3t h ASP 76 N -1.70 0.00 -0.53 2.83 3.32 -2.01 -2.29 116.42 116.04 3a3t h ASP 76 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3a3t h ASP 76 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3a3t h ASP 76 CO 0.51 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.15 3a3t n ASP 77 N -3.44 2.92 -4.09 6.45 3.85 -1.26 -4.90 116.55 116.07 3a3t n ASP 77 Ca -0.03 -1.99 -0.21 0.00 -0.71 0.00 0.00 54.79 51.86 3a3t n ASP 77 Cb 0.12 -0.35 -0.15 0.00 -1.35 0.00 0.00 41.12 39.39 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 -1.30 0.98 0.04 0.11 1.75 -0.86 -0.07 119.30 119.94 3a3t s MET 78 Ca 0.37 -0.52 -0.18 0.00 -1.25 0.00 0.00 55.69 54.11 3a3t s MET 78 Cb 0.19 -0.95 0.03 0.00 2.84 0.00 0.00 34.83 36.95 3a3t s MET 78 CO 0.25 0.25 0.40 1.52 -0.65 0.00 0.00 175.02 176.80 3a3t s TYR 79 N -0.43 -0.25 -0.14 4.11 -0.85 -0.65 -4.66 117.35 114.48 3a3t s TYR 79 Ca 0.04 0.21 -0.10 0.00 -0.52 0.00 0.00 57.07 56.70 3a3t s TYR 79 Cb -0.06 0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.44 3a3t s TYR 79 CO -0.00 -0.56 0.20 -1.17 -1.52 0.00 0.00 175.55 172.51 3a3t s LEU 80 N -1.97 4.31 -0.05 -3.49 2.96 -1.26 -0.07 118.68 119.10 3a3t s LEU 80 Ca -0.06 0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 3a3t s LEU 80 Cb -0.01 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.48 3a3t s LEU 80 CO -0.02 0.25 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.53 3a3t s ARG 81 N -0.22 1.61 0.03 1.98 3.52 0.14 -4.93 118.95 121.09 3a3t s ARG 81 Ca 0.14 -0.46 0.08 0.00 -0.13 0.00 0.00 55.73 55.36 3a3t s ARG 81 Cb -0.12 -1.37 -0.03 0.00 -1.56 0.00 0.00 34.95 31.87 3a3t s ARG 81 CO 0.03 0.11 -0.21 0.95 -0.81 0.00 0.00 175.30 175.37 3a3t s THR 82 N 0.38 2.56 -0.02 4.11 -4.23 -1.26 -0.56 115.64 116.62 3a3t s THR 82 Ca -0.09 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3a3t s THR 82 Cb -0.13 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.70 3a3t s THR 82 CO 0.03 0.38 0.03 -1.61 -0.54 0.00 0.00 174.62 172.91 3a3t s GLU 83 N -1.29 -0.03 -0.15 3.99 0.41 -0.49 -4.96 118.70 116.18 3a3t s GLU 83 Ca 0.13 0.19 -0.27 0.00 -0.41 0.00 0.00 54.97 54.61 3a3t s GLU 83 Cb -0.10 -0.23 -0.01 0.00 -1.78 0.00 0.00 34.13 32.00 3a3t s GLU 83 CO 0.04 -0.16 0.90 -1.58 -0.49 0.00 0.00 175.26 173.96 3a3t s HIS 84 N 1.04 3.44 0.63 1.61 2.46 -1.26 -1.38 115.29 121.83 3a3t s HIS 84 Ca -0.09 1.38 -0.18 0.00 0.47 0.00 0.00 55.06 56.65 3a3t s HIS 84 Cb -0.12 -3.09 -0.01 0.00 -0.13 0.00 0.00 32.58 29.23 3a3t s HIS 84 CO -0.03 -0.25 1.21 0.14 -2.47 0.00 0.00 174.74 173.34 3a3t s VAL 85 N 2.17 2.57 -0.32 0.89 -7.23 -0.61 -4.60 120.40 113.28 3a3t s VAL 85 Ca 0.42 0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 60.91 3a3t s VAL 85 Cb -0.17 -3.05 0.10 0.00 0.56 0.00 0.00 36.38 33.83 3a3t s VAL 85 CO 0.14 -0.10 0.10 -0.69 -0.31 0.00 0.00 175.10 174.24 3a3t s VAL 86 N -1.73 0.92 -1.63 1.32 1.01 -1.26 -4.81 120.40 114.22 3a3t s VAL 86 Ca 0.76 -1.48 0.23 0.00 0.00 0.00 0.00 61.98 61.49 3a3t s VAL 86 Cb -0.30 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3a3t s VAL 86 CO 0.37 -0.69 1.11 0.79 0.00 0.00 0.00 175.10 176.68 3a3t n TRP 87 N 4.77 0.00 -3.57 5.22 8.01 -1.26 -4.77 117.44 125.84 3a3t n TRP 87 Ca -0.01 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.10 3a3t n TRP 87 Cb 0.42 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.31 29.67 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 -2.67 1.09 0.25 -0.99 -2.07 -1.26 -5.06 119.66 108.95 3a3t s GLN 88 Ca 0.16 -0.48 -0.05 0.00 -1.82 0.00 0.00 55.36 53.17 3a3t s GLN 88 Cb 0.18 0.45 0.49 0.00 -1.09 0.00 0.00 33.01 33.04 3a3t s GLN 88 CO 0.66 -0.49 1.64 -0.22 -1.32 0.00 0.00 175.29 175.57 3a3t h LYS 89 N 2.00 0.13 -0.09 9.60 3.64 -2.03 -0.18 116.57 129.64 3a3t h LYS 89 Ca -0.25 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.15 3a3t h LYS 89 Cb 1.26 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3a3t h LYS 89 CO 0.31 0.09 0.08 0.93 -2.27 0.00 0.00 179.45 178.58 3a3t h GLU 90 N 0.13 0.00 0.00 1.90 3.07 -1.97 -1.82 114.58 115.89 3a3t h GLU 90 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3a3t h GLU 90 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3a3t h GLU 90 CO -0.65 0.00 0.00 1.98 -1.40 0.00 0.00 179.01 178.94 3a3t h MET 91 N 0.00 0.00 -0.65 2.33 4.05 -1.36 -3.15 114.93 116.14 3a3t h MET 91 Ca 0.04 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 3a3t h MET 91 Cb 0.19 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 3a3t h MET 91 CO -0.00 0.00 0.43 -0.07 0.23 0.00 0.00 176.91 177.50 3a3t h LEU 92 N 0.00 0.61 -0.77 3.39 3.38 -1.41 -1.06 115.31 119.46 3a3t h LEU 92 Ca 0.00 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3a3t h LEU 92 Cb 0.60 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3a3t h LEU 92 CO 0.00 0.41 0.46 0.74 0.09 0.00 0.00 178.44 180.14 3a3t h THR 93 N 0.70 1.02 -0.29 0.22 2.02 -1.75 -0.38 112.91 114.45 3a3t h THR 93 Ca 0.27 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 67.05 3a3t h THR 93 Cb 0.19 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3a3t h THR 93 CO -0.08 0.16 -0.27 -0.07 0.37 0.00 0.00 175.52 175.62 3a3t h LEU 94 N 0.86 0.59 -0.61 2.58 3.38 -1.42 -1.72 115.31 118.98 3a3t h LEU 94 Ca 0.34 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3a3t h LEU 94 Cb 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3a3t h LEU 94 CO -0.17 0.85 -0.08 0.00 0.09 0.00 0.00 178.44 179.13 3a3t h ALA 95 N 1.20 0.81 -0.78 1.53 0.00 -0.82 -0.67 119.26 120.52 3a3t h ALA 95 Ca 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3a3t h ALA 95 Cb 0.73 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3a3t h ALA 95 CO 0.06 0.67 0.38 0.00 0.00 0.00 0.00 179.25 180.36 3a3t h ARG 96 N 0.92 1.12 -0.42 0.00 3.08 -0.88 -0.99 114.38 117.20 3a3t h ARG 96 Ca 0.15 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3a3t h ARG 96 Cb 0.64 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3a3t h ARG 96 CO 0.04 0.87 0.24 1.25 -1.07 0.00 0.00 179.97 181.30 3a3t h LEU 97 N 1.10 0.53 -0.48 3.04 5.85 -1.08 0.36 115.31 124.63 3a3t h LEU 97 Ca 0.27 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.97 3a3t h LEU 97 Cb 0.11 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3a3t h LEU 97 CO -0.04 0.46 0.18 0.00 -0.34 0.00 0.00 178.44 178.70 3a3t h ALA 98 N 1.09 0.59 -0.72 1.25 0.00 -0.74 -0.40 119.26 120.33 3a3t h ALA 98 Ca 0.15 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3a3t h ALA 98 Cb 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3a3t h ALA 98 CO -0.02 -0.21 0.24 0.00 0.00 0.00 0.00 179.25 179.26 3a3t h ALA 99 N 1.31 0.94 -0.58 0.00 0.00 -0.88 -2.38 119.26 117.67 3a3t h ALA 99 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a3t h ALA 99 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3a3t h ALA 99 CO -0.22 0.60 0.38 0.00 0.00 0.00 0.00 179.25 180.01 3a3t h ALA 100 N 1.12 0.73 -0.25 0.00 0.00 -0.17 0.14 119.26 120.83 3a3t h ALA 100 Ca 0.23 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3a3t h ALA 100 Cb 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3a3t h ALA 100 CO -0.01 0.18 0.06 0.28 0.00 0.00 0.00 179.25 179.76 3a3t h VAL 101 N 0.78 0.90 -0.81 0.00 2.07 -0.91 0.20 116.25 118.48 3a3t h VAL 101 Ca 0.21 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.68 3a3t h VAL 101 Cb -0.08 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3a3t h VAL 101 CO -0.04 0.03 0.53 0.44 0.02 0.00 0.00 177.57 178.55 3a3t h ASP 102 N 0.17 0.93 0.00 0.57 3.32 -0.93 0.87 116.42 121.36 3a3t h ASP 102 Ca 0.11 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3a3t h ASP 102 Cb 0.10 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3a3t h ASP 102 CO -0.14 0.68 -0.00 0.24 -1.72 0.00 0.00 179.24 178.30 3a3t h MET 103 N 1.10 -0.01 0.00 3.56 2.86 -0.30 -3.35 114.93 118.79 3a3t h MET 103 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3a3t h MET 103 Cb -0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.54 3a3t h MET 103 CO -0.06 0.59 -0.65 0.00 1.06 0.00 0.00 176.91 177.84 3a3t n ALA 104 N -2.40 3.61 -2.62 6.32 0.00 0.65 -4.63 120.51 121.43 3a3t n ALA 104 Ca -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 3a3t n ALA 104 Cb 0.30 -0.46 0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.33 2.98 -0.36 0.00 0.00 0.29 -4.83 120.51 117.26 3a3t n ALA 105 Ca 0.02 -2.88 -0.02 0.00 0.00 0.00 0.00 53.44 50.55 3a3t n ALA 105 Cb 0.21 -0.75 0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 2.27 1.22 0.00 0.00 0.00 -1.66 0.93 119.26 122.02 3a3t h ALA 106 Ca -0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3a3t h ALA 106 Cb 1.39 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3a3t h ALA 106 CO 0.26 0.60 -0.17 -0.44 0.00 0.00 0.00 179.25 179.50 3a3t h ASP 107 N 1.29 0.00 0.00 0.00 3.32 -1.90 -3.03 116.42 116.09 3a3t h ASP 107 Ca 0.35 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 3a3t h ASP 107 Cb -0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3a3t h ASP 107 CO -0.08 0.17 -0.24 -1.54 -1.72 0.00 0.00 179.24 175.83 3a3t n SER 108 N -3.30 2.03 -0.26 6.45 3.41 -0.95 -4.83 113.62 116.17 3a3t n SER 108 Ca 0.00 -3.43 -0.00 0.00 -0.26 0.00 0.00 58.87 55.18 3a3t n SER 108 Cb 0.41 -0.47 0.12 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.45 0.77 -0.96 4.33 3.64 -0.70 -0.60 116.57 123.50 3a3t h LYS 109 Ca -0.00 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3a3t h LYS 109 Cb 1.01 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 3a3t h LYS 109 CO 0.00 0.51 0.62 -0.44 -2.27 0.00 0.00 179.45 177.87 3a3t h ASP 110 N 0.80 1.01 -0.09 4.20 3.32 -1.86 0.61 116.42 124.42 3a3t h ASP 110 Ca 0.34 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 3a3t h ASP 110 Cb 0.20 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3a3t h ASP 110 CO -0.19 0.68 -0.14 0.58 -1.72 0.00 0.00 179.24 178.45 3a3t h VAL 111 N 1.17 1.39 -0.11 -1.35 2.07 -1.71 -2.72 116.25 114.98 3a3t h VAL 111 Ca 0.40 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3a3t h VAL 111 Cb 0.07 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3a3t h VAL 111 CO -0.14 0.39 -0.06 0.00 0.02 0.00 0.00 177.57 177.78 3a3t h ALA 112 N 0.52 0.04 -0.59 1.67 0.00 -0.70 -2.29 119.26 117.91 3a3t h ALA 112 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3a3t h ALA 112 Cb 0.70 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3a3t h ALA 112 CO 0.03 -0.52 0.19 -0.91 0.00 0.00 0.00 179.25 178.05 3a3t h ASN 113 N -0.05 0.82 -0.82 0.00 4.21 -0.98 -0.48 115.58 118.29 3a3t h ASN 113 Ca 0.06 -0.13 0.03 0.00 1.21 0.00 0.00 56.30 57.47 3a3t h ASN 113 Cb 0.15 -0.21 -0.05 0.00 -1.12 0.00 0.00 38.32 37.09 3a3t h ASN 113 CO -0.14 0.77 0.52 -1.28 -1.29 0.00 0.00 177.43 176.01 3a3t h SER 114 N 0.86 0.87 0.27 5.81 0.87 -1.13 0.10 113.55 121.21 3a3t h SER 114 Ca 0.20 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.51 3a3t h SER 114 Cb 0.24 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3a3t h SER 114 CO -0.01 0.61 -0.96 0.45 -0.53 0.00 0.00 176.83 176.38 3a3t h HIS 115 N 1.03 0.70 -0.15 2.24 3.86 -1.00 -2.04 115.15 119.79 3a3t h HIS 115 Ca 0.32 -0.38 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 3a3t h HIS 115 Cb -0.01 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3a3t h HIS 115 CO -0.02 1.20 -0.05 0.82 0.86 0.00 0.00 177.93 180.74 3a3t h ILE 116 N 0.26 1.30 -0.52 2.45 2.04 -0.88 0.08 117.51 122.24 3a3t h ILE 116 Ca -0.09 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 64.77 3a3t h ILE 116 Cb 1.60 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 39.32 3a3t h ILE 116 CO 0.17 0.31 0.26 -0.26 0.00 0.00 0.00 178.15 178.63 3a3t h PHE 117 N -0.02 0.47 -0.59 1.37 0.04 -0.88 -1.58 116.94 115.75 3a3t h PHE 117 Ca 0.04 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3a3t h PHE 117 Cb 0.50 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 3a3t h PHE 117 CO 0.06 0.22 0.23 0.22 -0.60 0.00 0.00 178.31 178.44 3a3t h ASP 118 N 0.50 0.82 -0.83 2.17 3.58 -1.26 0.30 116.42 121.70 3a3t h ASP 118 Ca 0.23 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3a3t h ASP 118 Cb 0.15 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 3a3t h ASP 118 CO -0.17 0.77 0.54 0.00 -2.88 0.00 0.00 179.24 177.49 3a3t h ALA 119 N 1.08 1.05 0.00 -0.78 0.00 -0.48 0.24 119.26 120.37 3a3t h ALA 119 Ca 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3a3t h ALA 119 Cb 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a3t h ALA 119 CO -0.02 0.48 -0.49 0.52 0.00 0.00 0.00 179.25 179.74 3a3t h MET 120 N 1.13 0.00 -0.59 0.00 2.86 -1.11 0.18 114.93 117.39 3a3t h MET 120 Ca 0.30 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 3a3t h MET 120 Cb -0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3a3t h MET 120 CO -0.06 0.43 0.10 0.28 1.06 0.00 0.00 176.91 178.72 3a3t h VAL 121 N -1.00 1.26 0.01 -2.22 2.07 -0.48 -2.42 116.25 113.47 3a3t h VAL 121 Ca -0.09 -0.98 -0.39 0.00 0.82 0.00 0.00 66.70 66.06 3a3t h VAL 121 Cb 0.68 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 3a3t h VAL 121 CO -0.05 0.36 -2.19 0.59 0.02 0.00 0.00 177.57 176.30 3a3t n ASN 122 N -4.32 1.95 -0.06 0.57 5.03 -0.02 -4.54 115.26 113.88 3a3t n ASN 122 Ca 0.03 0.27 0.13 0.00 0.87 0.00 0.00 54.58 55.88 3a3t n ASN 122 Cb 0.27 -0.79 0.41 0.00 -1.02 0.00 0.00 39.78 38.64 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 -4.08 0.27 -2.70 3.52 6.02 -0.62 -4.93 117.38 114.87 3a3t n GLN 123 Ca -0.46 -0.13 -0.22 0.00 -0.01 0.00 0.00 57.00 56.18 3a3t n GLN 123 Cb 0.87 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.64 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 -1.25 -3.20 -2.66 -1.09 4.76 -0.91 -4.95 118.16 108.86 3a3t n LYS 124 Ca 0.09 0.96 -0.41 0.00 -2.87 0.00 0.00 58.31 56.07 3a3t n LYS 124 Cb 0.33 -5.72 -0.04 0.00 -1.84 0.00 0.00 35.03 27.76 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 -3.10 4.48 -1.34 -0.18 1.01 0.01 -4.95 121.20 117.12 3a3t s ILE 125 Ca 0.14 1.93 -0.11 0.00 0.00 0.00 0.00 60.65 62.62 3a3t s ILE 125 Cb -0.06 -4.24 0.12 0.00 0.01 0.00 0.00 42.46 38.29 3a3t s ILE 125 CO 0.18 0.24 1.98 1.17 0.00 0.00 0.00 174.94 178.50 3a3t n LYS 126 N 3.22 3.36 0.00 2.79 4.81 -1.26 -4.37 118.16 126.71 3a3t n LYS 126 Ca 0.04 -3.23 0.07 0.00 -0.87 0.00 0.00 58.31 54.32 3a3t n LYS 126 Cb 0.49 -3.06 0.33 0.00 0.02 0.00 0.00 35.03 32.82 3a3t n LYS 126 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3a3t n LEU 127 N 4.71 0.00 0.01 3.14 4.77 -1.26 -1.44 117.00 126.93 3a3t n LEU 127 Ca 0.44 0.38 0.13 0.00 -0.03 0.00 0.00 56.01 56.93 3a3t n LEU 127 Cb 0.37 -0.38 0.58 0.00 -2.33 0.00 0.00 43.42 41.66 3a3t n LEU 127 CO 0.84 -0.20 0.94 0.00 -1.33 0.00 0.00 177.39 177.64 3a3t n GLN 128 N -1.38 0.03 -2.87 3.23 0.00 -1.26 -4.41 117.38 110.72 3a3t n GLN 128 Ca 0.05 0.04 -0.43 0.00 0.00 0.00 0.00 57.00 56.67 3a3t n GLN 128 Cb 0.14 -1.54 -0.04 0.00 0.00 0.00 0.00 30.24 28.80 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 -3.18 6.54 0.40 2.61 3.84 -0.52 -4.69 114.94 119.94 3a3t s ASN 129 Ca 0.13 0.24 0.15 0.00 0.21 0.00 0.00 52.86 53.60 3a3t s ASN 129 Cb 0.18 -2.43 1.02 0.00 -0.55 0.00 0.00 41.25 39.46 3a3t s ASN 129 CO 0.52 -0.92 1.84 -0.65 -2.79 0.00 0.00 177.10 175.10 3a3t h PRO 130 N 8.80 0.46 -0.31 0.43 0.11 -1.87 0.13 132.00 139.76 3a3t h PRO 130 Ca -0.24 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.68 3a3t h PRO 130 Cb 1.08 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3a3t h PRO 130 CO 0.98 0.31 -0.46 1.49 -0.21 0.00 0.00 178.00 180.11 3a3t h GLU 131 N 0.48 0.80 -0.53 1.05 4.81 -1.94 -1.20 114.58 118.06 3a3t h GLU 131 Ca 0.49 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3a3t h GLU 131 Cb 1.11 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3a3t h GLU 131 CO -0.21 1.09 -0.11 0.28 -0.73 0.00 0.00 179.01 179.33 3a3t h VAL 132 N 0.64 1.27 -0.09 0.32 2.07 -1.19 -2.89 116.25 116.37 3a3t h VAL 132 Ca 0.04 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 3a3t h VAL 132 Cb 1.03 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3a3t h VAL 132 CO 0.10 0.44 -0.00 0.25 0.02 0.00 0.00 177.57 178.38 3a3t h LEU 133 N 0.87 0.17 -0.74 2.57 5.85 -0.73 -0.47 115.31 122.83 3a3t h LEU 133 Ca 0.14 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.59 3a3t h LEU 133 Cb 0.68 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3a3t h LEU 133 CO 0.05 0.44 0.44 0.11 -0.34 0.00 0.00 178.44 179.15 3a3t h LYS 134 N -0.11 0.80 -0.22 1.25 1.57 -1.28 0.31 116.57 118.88 3a3t h LYS 134 Ca 0.03 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3a3t h LYS 134 Cb 0.36 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3a3t h LYS 134 CO 0.01 0.53 0.02 -0.22 -0.57 0.00 0.00 179.45 179.22 3a3t h LYS 135 N 0.83 0.37 -0.36 3.15 3.64 -1.44 -2.51 116.57 120.25 3a3t h LYS 135 Ca 0.32 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3a3t h LYS 135 Cb 0.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3a3t h LYS 135 CO -0.16 0.53 0.22 2.35 -2.27 0.00 0.00 179.45 180.12 3a3t h TRP 136 N 0.16 0.41 -0.74 1.91 7.01 -0.44 -2.69 115.95 121.57 3a3t h TRP 136 Ca 0.07 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.12 3a3t h TRP 136 Cb 0.35 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.22 3a3t h TRP 136 CO 0.02 0.24 0.46 -0.07 -2.79 0.00 0.00 178.44 176.31 3a3t h LEU 137 N 0.45 0.74 -1.81 0.65 3.38 -0.37 -1.61 115.31 116.73 3a3t h LEU 137 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3a3t h LEU 137 Cb -0.01 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3a3t h LEU 137 CO -0.06 0.50 -0.15 1.23 0.09 0.00 0.00 178.44 180.05 3a3t h GLY 138 N 0.88 0.00 1.64 0.83 0.00 -1.17 -2.48 103.07 102.77 3a3t h GLY 138 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3a3t h GLY 138 CO -0.13 0.00 -0.20 1.18 0.00 0.00 0.00 176.54 177.40 3a3t n GLU 139 N -3.98 0.06 -2.21 4.80 1.02 -0.62 -4.89 120.64 114.80 3a3t n GLU 139 Ca -0.02 0.03 -0.38 0.00 -0.02 0.00 0.00 57.16 56.77 3a3t n GLU 139 Cb 0.23 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 -3.03 3.87 0.00 3.49 -1.52 -0.93 -4.95 119.66 116.60 3a3t s GLN 140 Ca 0.12 1.88 0.00 0.00 -1.95 0.00 0.00 55.36 55.41 3a3t s GLN 140 Cb 0.17 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 30.41 3a3t s GLN 140 CO 0.60 -0.49 0.00 -2.37 -0.25 0.00 0.00 175.29 172.78 3a3t n THR 141 N -0.20 0.00 0.26 -0.19 5.66 -1.26 -4.51 114.28 114.03 3a3t n THR 141 Ca 0.06 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.21 3a3t n THR 141 Cb 0.47 -0.50 0.49 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.00 1.00 -2.50 1.79 0.00 -1.99 -3.44 119.26 114.11 3a3t h ALA 142 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3a3t h ALA 142 Cb 0.58 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.23 3a3t h ALA 142 CO 0.00 0.00 -0.55 -0.59 0.00 0.00 0.00 179.25 178.12 3a3t s PHE 143 N -3.50 0.75 -1.09 0.00 -0.71 -1.26 -4.90 117.98 107.27 3a3t s PHE 143 Ca 0.03 -1.11 -0.22 0.00 -1.04 0.00 0.00 56.93 54.59 3a3t s PHE 143 Cb 0.07 -0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 41.50 3a3t s PHE 143 CO 0.59 -0.59 1.82 0.34 -1.34 0.00 0.00 175.22 176.04 3a3t s ASP 144 N -3.03 5.66 0.48 1.98 -1.08 -1.26 -4.76 116.67 114.65 3a3t s ASP 144 Ca 0.23 -1.47 0.14 0.00 -0.52 0.00 0.00 52.55 50.93 3a3t s ASP 144 Cb 0.06 -2.58 1.11 0.00 -1.46 0.00 0.00 42.92 40.06 3a3t s ASP 144 CO 0.02 -2.34 2.08 1.23 0.52 0.00 0.00 175.17 176.67 3a3t h GLY 145 N 15.94 0.09 1.09 2.66 0.00 -1.79 -2.45 103.07 118.61 3a3t h GLY 145 Ca 0.22 -0.04 -0.22 0.00 0.00 0.00 0.00 47.33 47.29 3a3t h GLY 145 CO 1.30 0.04 -0.83 0.50 0.00 0.00 0.00 176.54 177.55 3a3t h LYS 146 N 0.09 0.66 0.00 4.80 1.57 -1.86 -1.29 116.57 120.54 3a3t h LYS 146 Ca 0.02 -0.64 -0.08 0.00 -1.87 0.00 0.00 60.65 58.09 3a3t h LYS 146 Cb 0.11 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3a3t h LYS 146 CO 0.00 1.24 -0.37 -0.22 -0.57 0.00 0.00 179.45 179.53 3a3t h LYS 147 N 0.32 0.00 -0.14 3.15 3.64 -1.91 -0.72 116.57 120.91 3a3t h LYS 147 Ca -0.09 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 3a3t h LYS 147 Cb 1.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 3a3t h LYS 147 CO 0.17 0.37 -0.43 0.28 -2.27 0.00 0.00 179.45 177.57 3a3t h VAL 148 N 0.00 1.35 -0.47 2.00 2.07 -1.42 -2.70 116.25 117.08 3a3t h VAL 148 Ca -0.00 -1.71 0.07 0.00 0.82 0.00 0.00 66.70 65.87 3a3t h VAL 148 Cb 0.69 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 3a3t h VAL 148 CO 0.05 0.52 0.13 0.25 0.02 0.00 0.00 177.57 178.54 3a3t h LEU 149 N 0.17 0.09 -0.60 2.57 5.85 -0.76 0.11 115.31 122.75 3a3t h LEU 149 Ca -0.01 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3a3t h LEU 149 Cb 1.05 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 3a3t h LEU 149 CO 0.09 0.08 0.37 0.00 -0.34 0.00 0.00 178.44 178.65 3a3t h ALA 150 N 1.34 0.77 -0.66 1.25 0.00 -1.16 -1.58 119.26 119.21 3a3t h ALA 150 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3a3t h ALA 150 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3a3t h ALA 150 CO -0.26 0.13 0.38 0.00 0.00 0.00 0.00 179.25 179.49 3a3t h ALA 151 N 1.25 0.85 -0.73 0.00 0.00 -1.03 -2.38 119.26 117.22 3a3t h ALA 151 Ca 0.23 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3a3t h ALA 151 Cb -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3a3t h ALA 151 CO -0.09 0.34 0.48 -0.92 0.00 0.00 0.00 179.25 179.07 3a3t h TYR 152 N 0.90 0.64 -0.00 0.00 3.20 -0.06 -1.39 116.97 120.25 3a3t h TYR 152 Ca 0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3a3t h TYR 152 Cb 0.01 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3a3t h TYR 152 CO -0.01 0.29 -0.06 0.39 -1.64 0.00 0.00 178.16 177.14 3a3t n GLU 153 N -4.49 0.91 -2.49 1.82 1.02 -0.66 -4.69 120.64 112.06 3a3t n GLU 153 Ca 0.12 -0.28 -0.30 0.00 -0.02 0.00 0.00 57.16 56.68 3a3t n GLU 153 Cb 0.36 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.28 6.41 0.23 1.62 1.04 -0.52 -4.99 113.70 115.20 3a3t s SER 154 Ca 0.35 1.23 -0.06 0.00 0.48 0.00 0.00 55.95 57.96 3a3t s SER 154 Cb 0.21 -2.37 0.23 0.00 0.10 0.00 0.00 66.02 64.18 3a3t s SER 154 CO 0.43 -0.59 1.77 -0.65 0.98 0.00 0.00 173.24 175.18 3a3t h PRO 155 N 0.58 1.04 -0.72 4.02 0.11 -1.90 -2.85 132.00 132.27 3a3t h PRO 155 Ca -0.46 -0.23 0.07 0.00 0.11 0.00 0.00 66.00 65.49 3a3t h PRO 155 Cb 1.19 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 3a3t h PRO 155 CO 0.62 0.91 0.41 1.49 -0.21 0.00 0.00 178.00 181.21 3a3t h GLU 156 N 1.00 0.70 -0.30 1.05 4.81 -1.94 -0.66 114.58 119.24 3a3t h GLU 156 Ca 0.21 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3a3t h GLU 156 Cb 0.32 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3a3t h GLU 156 CO -0.00 0.47 0.19 1.03 -0.73 0.00 0.00 179.01 179.96 3a3t h SER 157 N 0.72 0.36 -0.32 1.04 0.87 -1.70 -0.09 113.55 114.43 3a3t h SER 157 Ca 0.33 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 3a3t h SER 157 Cb 0.24 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3a3t h SER 157 CO -0.21 0.28 0.00 -0.61 -0.53 0.00 0.00 176.83 175.77 3a3t h GLN 158 N 0.40 0.66 -0.45 2.24 5.75 -1.29 -0.96 115.11 121.46 3a3t h GLN 158 Ca 0.11 -0.16 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 3a3t h GLN 158 Cb -0.02 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 3a3t h GLN 158 CO -0.02 0.68 -0.20 0.00 -2.65 0.00 0.00 178.83 176.64 3a3t h ALA 159 N 1.38 0.63 -0.40 3.38 0.00 -0.76 -0.90 119.26 122.58 3a3t h ALA 159 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3a3t h ALA 159 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3a3t h ALA 159 CO 0.01 0.59 0.26 0.00 0.00 0.00 0.00 179.25 180.11 3a3t h ARG 160 N 0.76 0.54 -0.43 0.00 3.08 -0.75 -2.51 114.38 115.06 3a3t h ARG 160 Ca 0.10 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3a3t h ARG 160 Cb 0.76 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3a3t h ARG 160 CO 0.06 0.37 0.20 0.00 -1.07 0.00 0.00 179.97 179.53 3a3t h ALA 161 N 1.13 1.53 -0.43 0.04 0.00 -0.95 -0.87 119.26 119.73 3a3t h ALA 161 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3a3t h ALA 161 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3a3t h ALA 161 CO -0.03 0.37 0.06 -0.44 0.00 0.00 0.00 179.25 179.21 3a3t h ASP 162 N 0.61 0.69 -0.39 0.00 3.32 -0.92 -1.90 116.42 117.83 3a3t h ASP 162 Ca 0.15 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3a3t h ASP 162 Cb 0.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3a3t h ASP 162 CO -0.02 0.78 0.09 0.50 -1.72 0.00 0.00 179.24 178.87 3a3t h LYS 163 N 0.57 0.71 -0.29 3.56 1.63 -0.98 -0.21 116.57 121.56 3a3t h LYS 163 Ca 0.13 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3a3t h LYS 163 Cb 0.39 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3a3t h LYS 163 CO 0.01 0.66 0.16 0.52 -3.45 0.00 0.00 179.45 177.36 3a3t h MET 164 N 0.69 0.41 -0.54 1.90 2.86 -0.90 0.11 114.93 119.46 3a3t h MET 164 Ca 0.15 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 3a3t h MET 164 Cb 0.29 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 3a3t h MET 164 CO 0.00 0.35 0.30 0.37 1.06 0.00 0.00 176.91 178.99 3a3t h GLN 165 N 0.36 0.56 -0.32 1.72 4.15 -0.99 -1.16 115.11 119.43 3a3t h GLN 165 Ca 0.10 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 3a3t h GLN 165 Cb 0.06 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3a3t h GLN 165 CO -0.02 0.37 0.19 1.49 -1.93 0.00 0.00 178.83 178.93 3a3t h GLU 166 N 0.58 0.44 -0.82 1.69 4.22 -0.53 -1.75 114.58 118.40 3a3t h GLU 166 Ca 0.23 -0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.68 3a3t h GLU 166 Cb 0.09 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 3a3t h GLU 166 CO -0.13 0.34 0.51 -0.07 -2.18 0.00 0.00 179.01 177.48 3a3t h LEU 167 N 0.41 0.81 0.02 1.64 3.38 -0.55 0.19 115.31 121.20 3a3t h LEU 167 Ca 0.11 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3a3t h LEU 167 Cb 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3a3t h LEU 167 CO -0.02 0.53 -0.01 0.74 0.09 0.00 0.00 178.44 179.77 3a3t h THR 168 N 0.94 1.02 -0.13 0.22 2.02 -0.58 -2.01 112.91 114.39 3a3t h THR 168 Ca 0.35 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.35 3a3t h THR 168 Cb 0.13 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3a3t h THR 168 CO -0.16 0.03 -0.23 -0.33 0.37 0.00 0.00 175.52 175.20 3a3t h GLU 169 N -0.07 0.38 -0.54 6.66 5.08 -1.12 -1.30 114.58 123.67 3a3t h GLU 169 Ca -0.00 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3a3t h GLU 169 Cb 0.06 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3a3t h GLU 169 CO 0.00 0.83 0.34 1.15 -1.00 0.00 0.00 179.01 180.33 3a3t h THR 170 N -0.03 1.16 -0.66 1.13 2.02 -0.61 -2.72 112.91 113.20 3a3t h THR 170 Ca 0.01 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3a3t h THR 170 Cb 0.81 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3a3t h THR 170 CO 0.05 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.59 3a3t n PHE 171 N -4.67 1.10 -3.85 3.16 3.72 -0.76 -4.96 117.46 111.20 3a3t n PHE 171 Ca 0.03 -0.54 -0.26 0.00 -0.05 0.00 0.00 57.45 56.63 3a3t n PHE 171 Cb 0.04 -0.09 0.02 0.00 -0.94 0.00 0.00 39.48 38.51 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 1.32 -4.77 -2.11 -1.08 6.02 -0.67 -4.85 117.38 111.24 3a3t n GLN 172 Ca 0.24 0.56 -0.36 0.00 -0.01 0.00 0.00 57.00 57.43 3a3t n GLN 172 Cb 0.70 -5.18 -0.03 0.00 1.02 0.00 0.00 30.24 26.74 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 -3.56 3.43 -2.41 5.09 -1.09 -0.58 -4.78 121.20 117.29 3a3t s ILE 173 Ca 0.28 0.07 0.20 0.00 -2.23 0.00 0.00 60.65 58.97 3a3t s ILE 173 Cb -0.14 -4.08 0.15 0.00 -1.58 0.00 0.00 42.46 36.80 3a3t s ILE 173 CO 0.84 -1.04 1.11 -0.90 -1.23 0.00 0.00 174.94 173.72 3a3t n ASP 174 N 12.59 2.59 -4.08 3.58 5.68 -1.26 -4.89 116.55 130.75 3a3t n ASP 174 Ca 0.23 -1.79 -0.09 0.00 -0.50 0.00 0.00 54.79 52.64 3a3t n ASP 174 Cb 0.51 0.03 -0.10 0.00 -1.14 0.00 0.00 41.12 40.41 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 -1.66 0.49 -0.01 6.12 0.00 -1.26 -5.16 107.32 105.83 3a3t s GLY 175 Ca 0.22 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.90 3a3t s GLY 175 CO 0.26 -1.16 -0.07 -0.51 0.00 0.00 0.00 173.10 171.61 3a3t s THR 176 N -3.10 0.59 0.52 0.90 -4.23 -1.26 -4.00 115.64 105.06 3a3t s THR 176 Ca 0.02 -0.30 -0.18 0.00 -1.18 0.00 0.00 61.69 60.04 3a3t s THR 176 Cb 0.02 -0.51 -0.07 0.00 1.34 0.00 0.00 72.50 73.28 3a3t s THR 176 CO -0.06 0.18 1.01 -2.84 -0.54 0.00 0.00 174.62 172.37 3a3t s PRO 177 N -0.06 3.77 -0.10 3.99 0.02 -1.26 -4.78 135.00 136.57 3a3t s PRO 177 Ca 0.01 1.15 -0.00 0.00 0.02 0.00 0.00 61.00 62.18 3a3t s PRO 177 Cb -0.04 -2.10 0.02 0.00 0.02 0.00 0.00 34.50 32.40 3a3t s PRO 177 CO -0.00 -0.44 -0.06 0.99 -0.33 0.00 0.00 177.00 177.16 3a3t s THR 178 N -2.35 0.88 -0.13 0.99 2.01 -0.34 -4.99 115.64 111.72 3a3t s THR 178 Ca 0.63 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.43 3a3t s THR 178 Cb -0.13 -0.92 -0.00 0.00 0.01 0.00 0.00 72.50 71.45 3a3t s THR 178 CO 0.27 0.34 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.68 3a3t s VAL 179 N 1.65 2.58 -0.03 3.82 1.01 -1.26 0.59 120.40 128.76 3a3t s VAL 179 Ca 0.03 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3a3t s VAL 179 Cb -0.13 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3a3t s VAL 179 CO -0.06 0.53 -0.25 -0.63 0.00 0.00 0.00 175.10 174.69 3a3t s ILE 180 N 0.54 2.00 -0.09 2.22 -1.09 0.15 -0.69 121.20 124.23 3a3t s ILE 180 Ca -0.11 -1.07 0.03 0.00 -2.23 0.00 0.00 60.65 57.27 3a3t s ILE 180 Cb -0.16 -1.67 -0.01 0.00 -1.58 0.00 0.00 42.46 39.03 3a3t s ILE 180 CO 0.04 0.56 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.43 3a3t s VAL 181 N -0.45 2.51 -1.26 2.92 1.01 0.10 -0.05 120.40 125.19 3a3t s VAL 181 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3a3t s VAL 181 Cb -0.11 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3a3t s VAL 181 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3a3t n GLY 182 N 3.24 1.24 3.53 4.51 0.00 -0.32 -2.00 105.19 115.38 3a3t n GLY 182 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.84 1.73 0.01 -0.02 0.00 -1.26 -4.75 105.19 100.06 3a3t n GLY 183 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 2.45 -4.11 1.61 5.02 -0.91 -1.27 118.16 118.96 3a3t n LYS 184 Ca 0.00 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3a3t n LYS 184 Cb 0.00 -1.05 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.07 2.82 -0.16 2.13 2.02 -0.85 -0.71 117.35 120.52 3a3t s TYR 185 Ca -0.01 -1.73 -0.21 0.00 -0.37 0.00 0.00 57.07 54.76 3a3t s TYR 185 Cb 0.01 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 3a3t s TYR 185 CO 0.08 -0.81 0.61 0.21 -1.57 0.00 0.00 175.55 174.06 3a3t s LYS 186 N 1.27 4.27 0.11 -0.62 2.20 0.32 0.01 119.74 127.30 3a3t s LYS 186 Ca 0.03 0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 55.96 3a3t s LYS 186 Cb -0.14 -3.53 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 3a3t s LYS 186 CO -0.12 -0.11 1.14 0.08 -0.36 0.00 0.00 175.35 175.98 3a3t s VAL 187 N 1.48 4.01 -0.47 4.02 1.01 0.13 -0.45 120.40 130.13 3a3t s VAL 187 Ca 0.29 1.57 -0.14 0.00 0.00 0.00 0.00 61.98 63.70 3a3t s VAL 187 Cb -0.16 -4.00 0.08 0.00 0.00 0.00 0.00 36.38 32.30 3a3t s VAL 187 CO 0.12 0.19 0.37 -1.61 0.00 0.00 0.00 175.10 174.17 3a3t s GLU 188 N 0.39 2.88 -0.24 2.72 0.41 0.19 -4.68 118.70 120.38 3a3t s GLU 188 Ca 0.54 -1.42 -0.29 0.00 -0.41 0.00 0.00 54.97 53.39 3a3t s GLU 188 Cb -0.29 -4.06 0.00 0.00 -1.78 0.00 0.00 34.13 28.00 3a3t s GLU 188 CO 0.32 -1.04 1.13 -0.06 -0.49 0.00 0.00 175.26 175.12 3a3t s PHE 189 N 1.58 3.11 -0.04 1.61 0.08 -1.26 -4.61 117.98 118.45 3a3t s PHE 189 Ca 0.04 1.24 -0.21 0.00 0.12 0.00 0.00 56.93 58.11 3a3t s PHE 189 Cb -0.25 -3.48 -0.32 0.00 -0.57 0.00 0.00 43.02 38.41 3a3t s PHE 189 CO 0.05 -0.97 0.92 0.00 -0.10 0.00 0.00 175.22 175.11 3a3t h ALA 190 N 7.95 -0.09 -2.89 5.36 0.00 -1.95 -3.48 119.26 124.15 3a3t h ALA 190 Ca -0.22 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 53.96 3a3t h ALA 190 Cb 1.07 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 3a3t h ALA 190 CO 0.99 0.41 0.07 0.16 0.00 0.00 0.00 179.25 180.88 3a3t s ASP 191 N -7.02 -0.35 0.17 0.00 -4.77 -1.26 -5.08 116.67 98.36 3a3t s ASP 191 Ca -0.13 -0.31 -0.14 0.00 -3.30 0.00 0.00 52.55 48.67 3a3t s ASP 191 Cb 0.01 0.57 0.05 0.00 -1.09 0.00 0.00 42.92 42.46 3a3t s ASP 191 CO 0.84 -1.00 1.82 -0.50 0.70 0.00 0.00 175.17 177.03 3a3t h TRP 192 N 2.17 0.64 -0.41 2.11 -0.00 -1.99 -1.69 115.95 116.79 3a3t h TRP 192 Ca -0.31 0.01 -0.12 0.00 -0.00 0.00 0.00 58.89 58.47 3a3t h TRP 192 Cb 1.27 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 30.21 3a3t h TRP 192 CO 0.31 0.42 -0.21 0.93 -0.00 0.00 0.00 178.44 179.89 3a3t h GLU 193 N 0.68 0.86 0.00 0.49 3.07 -1.99 -2.03 114.58 115.65 3a3t h GLU 193 Ca 0.18 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.36 58.61 3a3t h GLU 193 Cb -0.05 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 3a3t h GLU 193 CO -0.04 1.03 -0.23 0.66 -1.40 0.00 0.00 179.01 179.03 3a3t h SER 194 N 0.68 0.00 -0.26 1.42 4.64 -1.97 -2.24 113.55 115.81 3a3t h SER 194 Ca 0.09 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 3a3t h SER 194 Cb 0.78 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 3a3t h SER 194 CO 0.06 0.23 -0.01 1.23 -0.87 0.00 0.00 176.83 177.46 3a3t h GLY 195 N 2.04 0.64 1.76 -0.77 0.00 -0.76 -2.40 103.07 103.57 3a3t h GLY 195 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 3a3t h GLY 195 CO 0.03 0.37 -0.06 -0.33 0.00 0.00 0.00 176.54 176.55 3a3t h MET 196 N 0.56 0.31 -0.25 4.80 2.86 -0.75 -1.17 114.93 121.29 3a3t h MET 196 Ca 0.12 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.54 3a3t h MET 196 Cb 0.38 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3a3t h MET 196 CO 0.01 0.39 -0.47 -0.91 1.06 0.00 0.00 176.91 176.99 3a3t h ASN 197 N 0.30 0.85 -0.80 1.22 -0.26 -1.43 -2.32 115.58 113.14 3a3t h ASN 197 Ca 0.07 -0.54 -0.00 0.00 -0.56 0.00 0.00 56.30 55.27 3a3t h ASN 197 Cb 0.30 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.28 3a3t h ASN 197 CO 0.01 1.22 0.48 0.74 -1.06 0.00 0.00 177.43 178.83 3a3t h THR 198 N 0.50 1.22 -0.27 2.81 2.02 -1.07 -0.82 112.91 117.30 3a3t h THR 198 Ca 0.01 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.74 3a3t h THR 198 Cb 1.07 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3a3t h THR 198 CO 0.10 0.23 0.07 0.40 0.37 0.00 0.00 175.52 176.70 3a3t h ILE 199 N 1.09 0.90 -0.39 3.11 2.04 -1.14 0.29 117.51 123.40 3a3t h ILE 199 Ca 0.29 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 66.09 3a3t h ILE 199 Cb -0.05 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3a3t h ILE 199 CO -0.05 0.03 0.25 0.44 0.00 0.00 0.00 178.15 178.82 3a3t h ASP 200 N 0.18 0.42 -0.69 1.72 3.32 -1.04 0.95 116.42 121.28 3a3t h ASP 200 Ca 0.12 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3a3t h ASP 200 Cb 0.11 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3a3t h ASP 200 CO -0.15 0.30 0.14 -0.07 -1.72 0.00 0.00 179.24 177.74 3a3t h LEU 201 N 0.51 1.08 -0.92 1.55 3.38 -0.85 -1.47 115.31 118.58 3a3t h LEU 201 Ca 0.15 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3a3t h LEU 201 Cb -0.03 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3a3t h LEU 201 CO -0.05 1.05 -0.02 -0.07 0.09 0.00 0.00 178.44 179.45 3a3t h LEU 202 N 1.07 0.74 -0.46 1.67 3.38 -0.15 -0.83 115.31 120.73 3a3t h LEU 202 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3a3t h LEU 202 Cb 0.42 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3a3t h LEU 202 CO 0.01 0.82 0.24 0.00 0.09 0.00 0.00 178.44 179.59 3a3t h ALA 203 N 1.26 0.59 -0.69 1.53 0.00 -0.32 0.64 119.26 122.28 3a3t h ALA 203 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3a3t h ALA 203 Cb 0.46 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3a3t h ALA 203 CO 0.02 0.13 0.30 -0.44 0.00 0.00 0.00 179.25 179.26 3a3t h ASP 204 N 0.60 0.90 -0.54 0.00 3.32 -1.04 -1.16 116.42 118.50 3a3t h ASP 204 Ca 0.16 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3a3t h ASP 204 Cb 0.08 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3a3t h ASP 204 CO -0.02 0.79 0.35 0.50 -1.72 0.00 0.00 179.24 179.14 3a3t h LYS 205 N 0.98 0.72 -0.34 3.56 3.64 -0.31 -2.34 116.57 122.48 3a3t h LYS 205 Ca 0.23 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3a3t h LYS 205 Cb 0.15 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3a3t h LYS 205 CO -0.03 0.49 -0.03 0.28 -2.27 0.00 0.00 179.45 177.89 3a3t h VAL 206 N 0.73 1.27 -0.95 2.00 2.07 -0.54 -2.58 116.25 118.25 3a3t h VAL 206 Ca 0.20 -1.03 0.08 0.00 0.82 0.00 0.00 66.70 66.76 3a3t h VAL 206 Cb -0.06 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 3a3t h VAL 206 CO -0.04 0.34 0.61 0.03 0.02 0.00 0.00 177.57 178.53 3a3t h ARG 207 N 0.41 1.01 -0.33 1.57 3.08 -1.03 0.14 114.38 119.24 3a3t h ARG 207 Ca 0.09 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3a3t h ARG 207 Cb 0.50 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3a3t h ARG 207 CO 0.02 0.67 0.04 0.93 -1.07 0.00 0.00 179.97 180.55 3a3t h GLU 208 N 1.04 0.55 -0.85 0.04 4.39 -1.28 0.29 114.58 118.75 3a3t h GLU 208 Ca 0.43 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 60.00 3a3t h GLU 208 Cb 0.29 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 3a3t h GLU 208 CO -0.18 0.66 0.55 0.93 -1.16 0.00 0.00 179.01 179.80 3a3t h GLU 209 N 0.37 1.03 -0.15 2.33 5.08 -0.97 -2.13 114.58 120.14 3a3t h GLU 209 Ca 0.10 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3a3t h GLU 209 Cb 0.38 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3a3t h GLU 209 CO 0.01 0.68 -0.18 1.96 -1.00 0.00 0.00 179.01 180.48 3a3t h GLN 210 N 1.06 0.24 -1.79 2.33 4.20 -0.28 -2.50 115.11 118.38 3a3t h GLN 210 Ca 0.34 -0.06 -0.29 0.00 0.06 0.00 0.00 58.65 58.69 3a3t h GLN 210 Cb 0.02 -0.03 -0.12 0.00 0.30 0.00 0.00 27.48 27.66 3a3t h GLN 210 CO -0.12 0.42 0.23 1.17 -0.67 0.00 0.00 178.83 179.86 3a3t n LYS 211 N -4.23 1.84 0.00 1.46 4.81 0.05 -5.09 118.16 117.01 3a3t n LYS 211 Ca -0.01 -1.42 0.00 0.00 -0.87 0.00 0.00 58.31 56.01 3a3t n LYS 211 Cb 0.30 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.66 3a3t n LYS 211 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57