#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 1.22 -4.87 -2.24 9.92 -1.26 -4.99 116.55 114.33 3a3t n ASP -3 Ca 0.00 0.88 -0.30 0.00 -0.53 0.00 0.00 54.79 54.84 3a3t n ASP -3 Cb 0.00 -1.42 -0.02 0.00 -0.64 0.00 0.00 41.12 39.04 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 -1.08 6.47 0.05 -2.24 1.01 -1.26 -5.10 116.67 114.51 3a3t s ASP -2 Ca 0.73 1.19 -0.01 0.00 0.71 0.00 0.00 52.55 55.16 3a3t s ASP -2 Cb -0.44 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 3a3t s ASP -2 CO 0.49 -0.50 -0.02 -1.59 0.21 0.00 0.00 175.17 173.77 3a3t s LYS -1 N -4.14 0.58 0.14 8.23 -2.85 -1.25 -5.07 119.74 115.37 3a3t s LYS -1 Ca 0.52 -1.12 -0.35 0.00 -1.00 0.00 0.00 55.97 54.02 3a3t s LYS -1 Cb -0.10 0.20 -0.15 0.00 -2.06 0.00 0.00 37.83 35.72 3a3t s LYS -1 CO 0.35 -0.11 1.50 0.00 0.10 0.00 0.00 175.35 177.20 3a3t n ALA 24 N 0.32 0.60 -0.13 0.59 0.00 -1.26 -0.81 120.51 119.81 3a3t n ALA 24 Ca -0.15 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3a3t n ALA 24 Cb 0.60 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 3.12 1.33 2.32 0.00 0.00 -1.26 -4.93 105.19 105.76 3a3t n GLY 25 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 1.46 -4.27 0.99 4.77 0.01 -4.78 117.00 115.19 3a3t n LEU 26 Ca 0.00 -5.04 -0.34 0.00 -0.03 0.00 0.00 56.01 50.59 3a3t n LEU 26 Cb 0.00 0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 3a3t n LEU 26 CO 0.00 2.19 -0.42 -0.69 -1.33 0.00 0.00 177.39 177.14 3a3t s VAL 27 N -2.27 3.03 0.22 4.08 1.01 -1.26 -3.87 120.40 121.34 3a3t s VAL 27 Ca 0.39 -0.61 -0.32 0.00 0.00 0.00 0.00 61.98 61.44 3a3t s VAL 27 Cb 0.25 -2.35 -0.12 0.00 0.00 0.00 0.00 36.38 34.15 3a3t s VAL 27 CO -0.09 0.46 1.63 1.21 0.00 0.00 0.00 175.10 178.31 3a3t n GLU 28 N 4.69 2.56 0.00 2.72 2.13 -1.26 -0.71 120.64 130.77 3a3t n GLU 28 Ca -0.19 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.55 3a3t n GLU 28 Cb 0.51 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.50 3a3t n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a3t n GLY 29 N 3.24 2.05 0.96 8.31 0.00 0.14 -4.82 105.19 115.08 3a3t n GLY 29 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.04 -0.03 1.61 -0.06 -0.41 -4.87 117.38 111.66 3a3t n GLN 30 Ca 0.00 0.02 0.06 0.00 -2.00 0.00 0.00 57.00 55.08 3a3t n GLN 30 Cb 0.00 -0.57 -0.16 0.00 -4.06 0.00 0.00 30.24 25.45 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 -3.37 0.02 -3.66 1.69 3.02 0.11 -4.76 115.26 108.31 3a3t n ASN 31 Ca -0.02 0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.44 3a3t n ASN 31 Cb 0.24 1.75 -0.02 0.00 -0.61 0.00 0.00 39.78 41.13 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 -3.29 -0.32 0.13 3.10 -0.85 -1.21 -0.79 117.35 114.12 3a3t s TYR 32 Ca -0.08 -0.02 0.08 0.00 -0.52 0.00 0.00 57.07 56.53 3a3t s TYR 32 Cb 0.12 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 43.01 3a3t s TYR 32 CO 0.89 -1.02 -0.18 0.99 -1.52 0.00 0.00 175.55 174.71 3a3t s THR 33 N -3.84 1.65 -0.22 -3.49 2.01 0.70 -0.68 115.64 111.76 3a3t s THR 33 Ca 0.07 -1.68 -0.10 0.00 0.31 0.00 0.00 61.69 60.28 3a3t s THR 33 Cb -0.03 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 3a3t s THR 33 CO -0.03 -0.21 0.15 -0.69 -0.69 0.00 0.00 174.62 173.14 3a3t s VAL 34 N -1.63 5.38 0.30 3.82 1.01 -1.26 0.48 120.40 128.50 3a3t s VAL 34 Ca 0.09 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3a3t s VAL 34 Cb -0.08 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 3a3t s VAL 34 CO 0.05 0.38 1.22 -0.76 0.00 0.00 0.00 175.10 175.99 3a3t s LEU 35 N 0.76 4.48 0.40 3.92 1.02 -0.27 -4.92 118.68 124.08 3a3t s LEU 35 Ca 0.08 2.49 0.11 0.00 0.02 0.00 0.00 54.13 56.83 3a3t s LEU 35 Cb -0.12 -3.64 0.84 0.00 0.02 0.00 0.00 46.19 43.29 3a3t s LEU 35 CO 0.02 -0.37 1.93 0.00 0.02 0.00 0.00 176.35 177.95 3a3t h ALA 36 N 3.73 1.56 -3.40 4.21 0.00 -1.98 -3.42 119.26 119.96 3a3t h ALA 36 Ca -0.48 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 53.89 3a3t h ALA 36 Cb 1.22 -0.07 -0.37 0.00 0.00 0.00 0.00 17.79 18.57 3a3t h ALA 36 CO 0.67 0.32 -0.74 1.21 0.00 0.00 0.00 179.25 180.71 3a3t s ASN 37 N -6.92 0.71 0.48 0.00 2.47 -1.26 -5.14 114.94 105.29 3a3t s ASN 37 Ca -0.05 0.05 -0.21 0.00 0.42 0.00 0.00 52.86 53.07 3a3t s ASN 37 Cb 0.15 -0.14 -0.07 0.00 -1.45 0.00 0.00 41.25 39.74 3a3t s ASN 37 CO 0.72 -0.19 1.11 -2.84 -3.72 0.00 0.00 177.10 172.18 3a3t s PRO 38 N 1.67 3.69 -0.22 0.43 0.02 -1.26 -4.98 135.00 134.34 3a3t s PRO 38 Ca -0.01 1.59 -0.16 0.00 0.02 0.00 0.00 61.00 62.43 3a3t s PRO 38 Cb -0.13 -2.22 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 3a3t s PRO 38 CO -0.03 -0.57 0.43 0.42 -0.33 0.00 0.00 177.00 176.92 3a3t s ILE 39 N -1.73 5.16 0.22 2.83 1.01 0.22 -5.02 121.20 123.89 3a3t s ILE 39 Ca 0.67 0.75 -0.32 0.00 0.00 0.00 0.00 60.65 61.75 3a3t s ILE 39 Cb -0.23 -3.76 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 3a3t s ILE 39 CO 0.28 0.20 1.61 -2.65 0.00 0.00 0.00 174.94 174.38 3a3t n PRO 40 N 4.80 2.48 -2.25 2.79 -0.02 -1.26 -4.32 135.00 137.22 3a3t n PRO 40 Ca -0.07 0.89 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 3a3t n PRO 40 Cb 0.51 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.30 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 0.45 3.67 0.17 -0.52 -0.21 -1.26 -4.98 119.66 116.98 3a3t s GLN 41 Ca 0.72 1.07 -0.09 0.00 0.02 0.00 0.00 55.36 57.09 3a3t s GLN 41 Cb -0.57 -2.09 0.05 0.00 1.00 0.00 0.00 33.01 31.40 3a3t s GLN 41 CO 0.40 -0.51 1.56 1.96 -2.12 0.00 0.00 175.29 176.59 3a3t h GLN 42 N 0.72 0.94 -6.26 2.91 4.20 -2.00 -3.44 115.11 112.18 3a3t h GLN 42 Ca -0.47 -0.41 -0.69 0.00 0.06 0.00 0.00 58.65 57.15 3a3t h GLN 42 Cb 1.20 -0.03 -0.24 0.00 0.30 0.00 0.00 27.48 28.72 3a3t h GLN 42 CO 0.60 1.07 -0.77 -0.65 -0.67 0.00 0.00 178.83 178.40 3a3t s GLN 43 N -4.62 2.56 0.06 1.46 -0.21 -1.26 -5.05 119.66 112.59 3a3t s GLN 43 Ca -0.11 -0.70 -0.07 0.00 0.02 0.00 0.00 55.36 54.50 3a3t s GLN 43 Cb 0.12 -2.39 -0.30 0.00 1.00 0.00 0.00 33.01 31.44 3a3t s GLN 43 CO 0.86 0.60 1.07 0.00 -2.12 0.00 0.00 175.29 175.70 3a3t h ALA 44 N 5.44 0.04 0.00 6.09 0.00 -2.04 -3.36 119.26 125.43 3a3t h ALA 44 Ca -0.45 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.56 3a3t h ALA 44 Cb 1.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3a3t h ALA 44 CO 0.51 0.92 -0.37 0.78 0.00 0.00 0.00 179.25 181.08 3a3t h GLY 45 N 1.21 0.00 0.00 0.00 0.00 -1.98 -3.48 103.07 98.82 3a3t h GLY 45 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3a3t h GLY 45 CO 0.22 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.04 3a3t n LYS 46 N -2.22 2.19 -3.83 4.80 5.02 -1.26 -5.00 118.16 117.86 3a3t n LYS 46 Ca 0.04 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.97 3a3t n LYS 46 Cb 0.44 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.32 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 -0.37 3.33 -0.07 -0.18 1.01 0.28 -4.95 120.40 119.46 3a3t s VAL 47 Ca 0.00 -1.41 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 3a3t s VAL 47 Cb 0.00 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3a3t s VAL 47 CO 0.00 -0.23 0.98 -0.70 0.00 0.00 0.00 175.10 175.15 3a3t s GLU 48 N 1.29 4.47 -0.35 2.72 2.12 -1.26 -2.33 118.70 125.35 3a3t s GLU 48 Ca -0.02 1.38 -0.13 0.00 0.36 0.00 0.00 54.97 56.56 3a3t s GLU 48 Cb -0.20 -3.51 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 3a3t s GLU 48 CO -0.00 -0.21 0.24 0.08 -0.54 0.00 0.00 175.26 174.83 3a3t s VAL 49 N 1.63 5.18 -0.26 3.70 1.01 0.75 -0.68 120.40 131.73 3a3t s VAL 49 Ca 0.49 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3a3t s VAL 49 Cb -0.19 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.51 3a3t s VAL 49 CO 0.21 -0.07 -0.04 -0.22 0.00 0.00 0.00 175.10 174.98 3a3t s LEU 50 N 1.70 3.41 -0.31 3.92 2.96 0.15 -0.23 118.68 130.28 3a3t s LEU 50 Ca 0.06 -0.98 -0.11 0.00 -0.22 0.00 0.00 54.13 52.88 3a3t s LEU 50 Cb -0.18 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3a3t s LEU 50 CO 0.10 -0.17 0.18 -0.70 -1.32 0.00 0.00 176.35 174.44 3a3t s GLU 51 N 1.31 3.57 -0.06 1.98 2.12 0.71 -0.12 118.70 128.21 3a3t s GLU 51 Ca -0.01 -0.57 -0.25 0.00 0.36 0.00 0.00 54.97 54.50 3a3t s GLU 51 Cb -0.18 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 3a3t s GLU 51 CO -0.03 -0.34 0.76 -0.06 -0.54 0.00 0.00 175.26 175.04 3a3t s PHE 52 N 1.68 3.58 0.34 5.30 0.08 0.61 -1.20 117.98 128.37 3a3t s PHE 52 Ca 0.06 1.33 0.05 0.00 0.12 0.00 0.00 56.93 58.49 3a3t s PHE 52 Cb -0.17 -2.87 -0.02 0.00 -0.57 0.00 0.00 43.02 39.39 3a3t s PHE 52 CO 0.09 0.05 0.33 -0.59 -0.10 0.00 0.00 175.22 174.99 3a3t s PHE 53 N 0.92 1.61 -0.07 0.36 -0.71 -0.56 -1.62 117.98 117.91 3a3t s PHE 53 Ca 0.40 -1.59 -0.05 0.00 -1.04 0.00 0.00 56.93 54.65 3a3t s PHE 53 Cb -0.18 -0.57 0.03 0.00 -1.21 0.00 0.00 43.02 41.09 3a3t s PHE 53 CO 0.19 -0.94 0.18 0.20 -1.34 0.00 0.00 175.22 173.52 3a3t s GLY 54 N -3.35 -0.09 0.32 1.99 0.00 -1.26 -1.40 107.32 103.53 3a3t s GLY 54 Ca 0.39 0.69 0.22 0.00 0.00 0.00 0.00 44.72 46.01 3a3t s GLY 54 CO 0.26 0.86 1.67 -1.72 0.00 0.00 0.00 173.10 174.17 3a3t n TYR 55 N 3.78 0.74 1.41 1.90 4.01 -1.26 -0.45 117.16 127.30 3a3t n TYR 55 Ca -0.21 0.38 0.14 0.00 -0.16 0.00 0.00 57.90 58.04 3a3t n TYR 55 Cb 0.55 -1.11 0.47 0.00 -0.31 0.00 0.00 39.34 38.94 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 -2.26 0.00 -3.35 -0.72 -1.74 -1.26 -4.32 117.46 103.81 3a3t n PHE 56 Ca -0.01 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.44 3a3t n PHE 56 Cb 0.05 -0.04 -0.09 0.00 1.52 0.00 0.00 39.48 40.92 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 8.74 0.28 -0.59 0.00 0.11 -1.90 0.04 132.00 138.69 3a3t h PRO 58 Ca -0.27 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 3a3t h PRO 58 Cb 1.11 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3a3t h PRO 58 CO 0.81 0.19 0.19 0.45 -0.21 0.00 0.00 178.00 179.43 3a3t h HIS 59 N 0.29 0.91 -0.38 0.65 3.86 -1.93 -2.25 115.15 116.30 3a3t h HIS 59 Ca 0.25 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3a3t h HIS 59 Cb 0.32 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3a3t h HIS 59 CO -0.20 0.73 0.20 0.00 0.86 0.00 0.00 177.93 179.51 3a3t h ALA 61 N 1.05 1.64 0.19 0.00 0.00 -0.53 -0.50 119.26 121.11 3a3t h ALA 61 Ca 0.13 0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.74 3a3t h ALA 61 Cb 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.72 3a3t h ALA 61 CO -0.02 0.12 -1.49 0.45 0.00 0.00 0.00 179.25 178.31 3a3t h HIS 62 N 0.88 0.72 -0.02 0.00 3.86 -1.12 -3.31 115.15 116.16 3a3t h HIS 62 Ca 0.47 -0.52 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 3a3t h HIS 62 Cb 0.56 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 3a3t h HIS 62 CO -0.00 1.48 -0.32 1.25 0.86 0.00 0.00 177.93 181.20 3a3t h LEU 63 N 0.11 0.03 -0.07 2.43 5.85 -0.58 -3.31 115.31 119.77 3a3t h LEU 63 Ca -0.24 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.51 3a3t h LEU 63 Cb 2.08 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 43.05 3a3t h LEU 63 CO 0.22 0.35 -0.35 -0.33 -0.34 0.00 0.00 178.44 177.99 3a3t h GLU 64 N 0.03 -0.44 -0.31 1.25 4.39 -1.18 0.34 114.58 118.66 3a3t h GLU 64 Ca 0.00 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.79 3a3t h GLU 64 Cb 0.58 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.28 3a3t h GLU 64 CO 0.04 -0.30 -0.00 -1.35 -1.16 0.00 0.00 179.01 176.25 3a3t h PRO 65 N -0.46 0.09 0.05 2.33 0.11 -1.74 0.17 132.00 132.54 3a3t h PRO 65 Ca 0.08 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3a3t h PRO 65 Cb 0.58 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3a3t h PRO 65 CO -0.33 0.06 -0.02 0.28 -0.21 0.00 0.00 178.00 177.78 3a3t h VAL 66 N 0.09 0.97 -0.57 3.15 2.07 -1.58 0.15 116.25 120.52 3a3t h VAL 66 Ca 0.15 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 3a3t h VAL 66 Cb 0.20 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3a3t h VAL 66 CO -0.25 0.01 0.13 0.25 0.02 0.00 0.00 177.57 177.73 3a3t h LEU 67 N -0.08 0.88 -0.20 2.57 5.85 -0.16 -0.95 115.31 123.21 3a3t h LEU 67 Ca -0.01 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3a3t h LEU 67 Cb 0.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3a3t h LEU 67 CO 0.01 0.89 0.08 -1.28 -0.34 0.00 0.00 178.44 177.80 3a3t h SER 68 N 0.82 0.28 -0.38 1.25 0.87 -0.53 -1.09 113.55 114.77 3a3t h SER 68 Ca 0.18 -0.16 0.07 0.00 -1.23 0.00 0.00 61.79 60.64 3a3t h SER 68 Cb 0.36 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 3a3t h SER 68 CO 0.00 0.36 0.01 0.50 -0.53 0.00 0.00 176.83 177.18 3a3t h LYS 69 N 0.17 0.11 -0.11 2.24 1.63 -0.74 -1.83 116.57 118.05 3a3t h LYS 69 Ca 0.07 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.80 3a3t h LYS 69 Cb 0.17 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 3a3t h LYS 69 CO -0.01 0.07 -0.22 1.25 -3.45 0.00 0.00 179.45 177.10 3a3t h HIS 70 N 0.11 0.20 0.00 1.91 2.76 -1.05 -2.65 115.15 116.43 3a3t h HIS 70 Ca 0.19 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 3a3t h HIS 70 Cb 0.26 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 3a3t h HIS 70 CO -0.25 0.40 -0.24 0.00 -1.30 0.00 0.00 177.93 176.54 3a3t h ALA 71 N 1.61 1.37 -0.40 5.26 0.00 -0.33 -2.76 119.26 124.02 3a3t h ALA 71 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3a3t h ALA 71 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3a3t h ALA 71 CO 0.03 0.30 0.14 0.87 0.00 0.00 0.00 179.25 180.59 3a3t h LYS 72 N 0.00 0.61 0.00 0.00 1.57 -1.25 -1.86 116.57 115.64 3a3t h LYS 72 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3a3t h LYS 72 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3a3t h LYS 72 CO 0.03 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.38 3a3t n SER 73 N -4.62 0.00 -4.74 0.86 3.41 -1.05 -4.84 113.62 102.64 3a3t n SER 73 Ca -0.00 -1.45 -0.42 0.00 -0.26 0.00 0.00 58.87 56.74 3a3t n SER 73 Cb 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.64 2.82 -0.73 7.33 3.72 -0.70 -4.98 117.46 124.27 3a3t n PHE 74 Ca 0.06 0.20 -0.32 0.00 -0.05 0.00 0.00 57.45 57.34 3a3t n PHE 74 Cb 0.03 -2.62 0.15 0.00 -0.94 0.00 0.00 39.48 36.10 3a3t n PHE 74 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3a3t n LYS 75 N 2.64 -0.67 0.28 -1.08 5.02 -1.26 -4.88 118.16 118.22 3a3t n LYS 75 Ca 0.11 -0.15 0.14 0.00 -2.02 0.00 0.00 58.31 56.38 3a3t n LYS 75 Cb 0.36 -1.95 0.82 0.00 -0.02 0.00 0.00 35.03 34.24 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 -1.78 0.00 -0.84 4.39 3.32 -1.98 -2.47 116.42 117.05 3a3t h ASP 76 Ca -0.46 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.03 3a3t h ASP 76 Cb 1.29 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.60 3a3t h ASP 76 CO 0.37 0.05 0.72 -0.90 -1.72 0.00 0.00 179.24 177.76 3a3t n ASP 77 N -3.81 6.88 -3.66 6.45 3.85 -1.26 -4.89 116.55 120.10 3a3t n ASP 77 Ca -0.03 -3.55 -0.08 0.00 -0.71 0.00 0.00 54.79 50.43 3a3t n ASP 77 Cb 0.15 -0.98 -0.09 0.00 -1.35 0.00 0.00 41.12 38.85 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 -3.18 0.44 0.06 0.11 1.75 -0.93 0.10 119.30 117.65 3a3t s MET 78 Ca 0.54 1.06 -0.03 0.00 -1.25 0.00 0.00 55.69 56.01 3a3t s MET 78 Cb 0.43 0.29 -0.03 0.00 2.84 0.00 0.00 34.83 38.36 3a3t s MET 78 CO 0.00 -0.20 0.02 1.52 -0.65 0.00 0.00 175.02 175.72 3a3t s TYR 79 N 2.17 0.42 -0.24 4.11 -0.85 -0.98 -4.68 117.35 117.30 3a3t s TYR 79 Ca -0.06 -0.93 -0.08 0.00 -0.52 0.00 0.00 57.07 55.47 3a3t s TYR 79 Cb -0.10 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.90 3a3t s TYR 79 CO -0.15 -0.42 0.10 -1.17 -1.52 0.00 0.00 175.55 172.40 3a3t s LEU 80 N -2.87 3.72 -0.07 -3.49 2.96 -1.26 -0.18 118.68 117.49 3a3t s LEU 80 Ca 0.06 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3a3t s LEU 80 Cb 0.07 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3a3t s LEU 80 CO -0.10 0.02 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.16 3a3t s ARG 81 N 1.29 2.72 0.05 1.98 3.52 0.68 -4.98 118.95 124.22 3a3t s ARG 81 Ca 0.06 -0.80 0.09 0.00 -0.13 0.00 0.00 55.73 54.94 3a3t s ARG 81 Cb -0.15 -2.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 3a3t s ARG 81 CO 0.05 0.41 -0.24 0.95 -0.81 0.00 0.00 175.30 175.66 3a3t s THR 82 N -0.21 1.96 -0.07 4.11 -4.23 -1.26 -0.20 115.64 115.74 3a3t s THR 82 Ca -0.01 -1.36 -0.03 0.00 -1.18 0.00 0.00 61.69 59.12 3a3t s THR 82 Cb -0.13 -1.70 0.04 0.00 1.34 0.00 0.00 72.50 72.05 3a3t s THR 82 CO 0.03 0.27 0.14 -1.61 -0.54 0.00 0.00 174.62 172.91 3a3t s GLU 83 N -1.31 0.08 -0.02 3.99 0.41 -0.34 -4.95 118.70 116.56 3a3t s GLU 83 Ca 0.10 0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 54.75 3a3t s GLU 83 Cb -0.10 -0.19 -0.03 0.00 -1.78 0.00 0.00 34.13 32.03 3a3t s GLU 83 CO 0.02 -0.18 0.95 -1.58 -0.49 0.00 0.00 175.26 173.99 3a3t s HIS 84 N 1.27 3.63 0.63 1.61 2.46 -1.26 -1.49 115.29 122.14 3a3t s HIS 84 Ca -0.08 1.64 -0.17 0.00 0.47 0.00 0.00 55.06 56.92 3a3t s HIS 84 Cb -0.12 -3.09 -0.02 0.00 -0.13 0.00 0.00 32.58 29.22 3a3t s HIS 84 CO -0.06 -0.03 1.14 0.14 -2.47 0.00 0.00 174.74 173.46 3a3t s VAL 85 N 1.11 3.04 -0.29 0.89 -7.23 -0.49 -4.65 120.40 112.78 3a3t s VAL 85 Ca 0.50 0.55 -0.00 0.00 -1.81 0.00 0.00 61.98 61.21 3a3t s VAL 85 Cb -0.20 -3.11 0.09 0.00 0.56 0.00 0.00 36.38 33.71 3a3t s VAL 85 CO 0.26 -0.24 0.06 -0.69 -0.31 0.00 0.00 175.10 174.18 3a3t s VAL 86 N -2.05 1.09 -1.43 1.32 1.01 -1.26 -4.75 120.40 114.32 3a3t s VAL 86 Ca 0.71 -1.37 0.19 0.00 0.00 0.00 0.00 61.98 61.51 3a3t s VAL 86 Cb -0.24 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 3a3t s VAL 86 CO 0.37 -0.52 0.91 0.79 0.00 0.00 0.00 175.10 176.65 3a3t n TRP 87 N 4.78 0.00 -3.59 5.22 8.01 -1.26 -4.80 117.44 125.80 3a3t n TRP 87 Ca -0.04 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.08 3a3t n TRP 87 Cb 0.43 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.71 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 -2.47 1.07 0.28 -0.99 -2.07 -1.26 -5.05 119.66 109.18 3a3t s GLN 88 Ca 0.13 -0.48 0.02 0.00 -1.82 0.00 0.00 55.36 53.21 3a3t s GLN 88 Cb 0.15 0.43 0.70 0.00 -1.09 0.00 0.00 33.01 33.20 3a3t s GLN 88 CO 0.62 -0.48 1.68 -0.22 -1.32 0.00 0.00 175.29 175.57 3a3t h LYS 89 N 2.00 0.32 0.00 9.60 3.64 -2.03 -0.48 116.57 129.62 3a3t h LYS 89 Ca -0.24 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 3a3t h LYS 89 Cb 1.25 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3a3t h LYS 89 CO 0.30 0.21 -0.10 0.93 -2.27 0.00 0.00 179.45 178.52 3a3t h GLU 90 N 0.33 0.00 0.00 1.90 3.07 -1.96 -2.42 114.58 115.50 3a3t h GLU 90 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3a3t h GLU 90 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 3a3t h GLU 90 CO -0.56 0.10 -0.09 1.98 -1.40 0.00 0.00 179.01 179.04 3a3t h MET 91 N 0.00 0.00 -0.97 2.33 4.05 -1.44 -3.32 114.93 115.58 3a3t h MET 91 Ca -0.00 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 3a3t h MET 91 Cb 0.30 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.03 3a3t h MET 91 CO 0.01 0.00 0.62 -0.07 0.23 0.00 0.00 176.91 177.70 3a3t h LEU 92 N 0.00 0.89 -1.29 3.39 3.38 -1.48 -0.89 115.31 119.32 3a3t h LEU 92 Ca 0.00 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.13 3a3t h LEU 92 Cb 0.77 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 3a3t h LEU 92 CO 0.00 0.49 0.56 0.74 0.09 0.00 0.00 178.44 180.32 3a3t h THR 93 N 0.97 0.88 -0.22 0.22 2.02 -1.79 -0.68 112.91 114.31 3a3t h THR 93 Ca 0.47 -0.25 -0.20 0.00 0.77 0.00 0.00 66.41 67.20 3a3t h THR 93 Cb 0.46 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3a3t h THR 93 CO -0.23 0.13 -0.64 -0.07 0.37 0.00 0.00 175.52 175.08 3a3t h LEU 94 N 0.73 0.91 -1.08 2.58 3.38 -1.41 -1.71 115.31 118.72 3a3t h LEU 94 Ca 0.42 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3a3t h LEU 94 Cb 0.61 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3a3t h LEU 94 CO -0.19 1.33 -0.08 0.00 0.09 0.00 0.00 178.44 179.60 3a3t h ALA 95 N 0.68 1.24 -0.56 1.53 0.00 -1.21 -0.92 119.26 120.01 3a3t h ALA 95 Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3a3t h ALA 95 Cb 1.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3a3t h ALA 95 CO 0.14 0.50 -0.07 -0.09 0.00 0.00 0.00 179.25 179.73 3a3t h ARG 96 N 0.53 1.03 -0.38 0.00 2.43 -0.98 -1.04 114.38 115.97 3a3t h ARG 96 Ca 0.10 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3a3t h ARG 96 Cb 0.46 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3a3t h ARG 96 CO 0.02 1.05 0.23 1.25 -1.51 0.00 0.00 179.97 181.02 3a3t h LEU 97 N 0.93 0.45 -0.60 3.80 5.85 -0.92 -1.31 115.31 123.51 3a3t h LEU 97 Ca 0.15 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3a3t h LEU 97 Cb 0.63 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 3a3t h LEU 97 CO 0.04 0.36 0.30 0.00 -0.34 0.00 0.00 178.44 178.80 3a3t h ALA 98 N 1.11 0.79 -0.73 1.25 0.00 -0.83 -0.37 119.26 120.48 3a3t h ALA 98 Ca 0.14 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3a3t h ALA 98 Cb -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3a3t h ALA 98 CO -0.03 -0.06 0.38 0.00 0.00 0.00 0.00 179.25 179.54 3a3t h ALA 99 N 1.35 0.94 -0.45 0.00 0.00 -1.03 -1.07 119.26 118.99 3a3t h ALA 99 Ca 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3a3t h ALA 99 Cb 0.23 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3a3t h ALA 99 CO -0.21 0.47 0.13 0.00 0.00 0.00 0.00 179.25 179.64 3a3t h ALA 100 N 1.19 1.38 -0.31 0.00 0.00 -0.41 0.17 119.26 121.27 3a3t h ALA 100 Ca 0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3a3t h ALA 100 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3a3t h ALA 100 CO -0.04 0.45 0.01 0.28 0.00 0.00 0.00 179.25 179.96 3a3t h VAL 101 N 0.66 1.25 -0.62 0.00 2.07 -0.61 0.99 116.25 119.99 3a3t h VAL 101 Ca 0.15 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3a3t h VAL 101 Cb 0.22 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3a3t h VAL 101 CO -0.01 0.30 0.35 0.44 0.02 0.00 0.00 177.57 178.67 3a3t h ASP 102 N 0.34 0.54 -0.14 0.57 3.32 -0.39 0.17 116.42 120.83 3a3t h ASP 102 Ca 0.09 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3a3t h ASP 102 Cb 0.42 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3a3t h ASP 102 CO 0.01 0.37 -0.20 0.24 -1.72 0.00 0.00 179.24 177.94 3a3t h MET 103 N 0.67 0.39 0.00 3.56 2.86 -0.52 -3.25 114.93 118.63 3a3t h MET 103 Ca 0.26 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3a3t h MET 103 Cb 0.11 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3a3t h MET 103 CO -0.14 0.81 -2.06 0.00 1.06 0.00 0.00 176.91 176.58 3a3t n ALA 104 N -2.45 2.50 -2.70 6.32 0.00 0.33 -4.60 120.51 119.91 3a3t n ALA 104 Ca -0.06 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.63 3a3t n ALA 104 Cb 0.41 -0.63 0.04 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.37 3.07 -0.29 0.00 0.00 0.58 -4.87 120.51 116.63 3a3t n ALA 105 Ca -0.10 -2.97 0.01 0.00 0.00 0.00 0.00 53.44 50.38 3a3t n ALA 105 Cb 0.71 -0.80 0.21 0.00 0.00 0.00 0.00 19.45 19.56 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 2.60 1.44 0.00 0.00 0.00 -1.57 -0.15 119.26 121.58 3a3t h ALA 106 Ca -0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3a3t h ALA 106 Cb 1.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3a3t h ALA 106 CO 0.31 0.47 -0.55 -0.44 0.00 0.00 0.00 179.25 179.05 3a3t h ASP 107 N 1.10 0.00 -0.74 0.00 3.32 -1.90 -3.24 116.42 114.96 3a3t h ASP 107 Ca 0.35 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.86 3a3t h ASP 107 Cb 0.01 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.14 3a3t h ASP 107 CO -0.10 0.55 -0.82 -1.54 -1.72 0.00 0.00 179.24 175.61 3a3t n SER 108 N -3.57 4.87 0.01 6.45 3.41 -0.83 -4.81 113.62 119.15 3a3t n SER 108 Ca -0.00 -3.75 -0.02 0.00 -0.26 0.00 0.00 58.87 54.84 3a3t n SER 108 Cb 0.62 -0.34 0.24 0.00 -0.26 0.00 0.00 64.21 64.47 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 2.16 0.49 -0.20 4.33 3.64 -1.08 -2.70 116.57 123.21 3a3t h LYS 109 Ca 0.36 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3a3t h LYS 109 Cb 1.53 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.27 3a3t h LYS 109 CO 0.75 0.64 0.00 -0.44 -2.27 0.00 0.00 179.45 178.13 3a3t h ASP 110 N 0.45 -0.07 -0.13 4.20 3.32 -1.87 -1.07 116.42 121.25 3a3t h ASP 110 Ca 0.08 0.04 -0.20 0.00 0.02 0.00 0.00 57.03 56.97 3a3t h ASP 110 Cb 0.55 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3a3t h ASP 110 CO 0.04 -0.01 -0.66 0.58 -1.72 0.00 0.00 179.24 177.47 3a3t h VAL 111 N 0.07 1.29 0.11 -1.35 2.07 -1.93 -1.19 116.25 115.32 3a3t h VAL 111 Ca 0.10 -1.88 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 3a3t h VAL 111 Cb 0.12 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3a3t h VAL 111 CO -0.16 0.60 -0.05 0.00 0.02 0.00 0.00 177.57 177.97 3a3t h ALA 112 N 0.71 -0.15 -0.92 1.67 0.00 -1.39 -2.74 119.26 116.45 3a3t h ALA 112 Ca -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3a3t h ALA 112 Cb 1.26 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3a3t h ALA 112 CO 0.13 -0.50 0.60 -0.91 0.00 0.00 0.00 179.25 178.58 3a3t h ASN 113 N -0.31 1.04 -0.56 0.00 2.35 -1.22 -1.17 115.58 115.71 3a3t h ASN 113 Ca -0.01 -0.02 0.11 0.00 -0.55 0.00 0.00 56.30 55.82 3a3t h ASN 113 Cb 0.25 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 38.28 3a3t h ASN 113 CO 0.02 0.74 0.00 -1.28 -1.65 0.00 0.00 177.43 175.27 3a3t h SER 114 N 1.22 -0.24 0.57 5.81 0.87 -1.08 0.22 113.55 120.92 3a3t h SER 114 Ca 0.34 0.13 -0.19 0.00 -1.23 0.00 0.00 61.79 60.84 3a3t h SER 114 Cb -0.11 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3a3t h SER 114 CO -0.08 -0.09 -0.86 0.45 -0.53 0.00 0.00 176.83 175.72 3a3t h HIS 115 N 0.12 0.29 -0.18 2.24 3.86 -1.14 -1.97 115.15 118.37 3a3t h HIS 115 Ca 0.29 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 3a3t h HIS 115 Cb 0.45 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 3a3t h HIS 115 CO -0.34 0.96 -0.03 0.82 0.86 0.00 0.00 177.93 180.20 3a3t h ILE 116 N 0.11 1.28 -0.18 2.45 2.04 -0.69 -1.13 117.51 121.39 3a3t h ILE 116 Ca -0.04 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 64.90 3a3t h ILE 116 Cb 1.48 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 39.07 3a3t h ILE 116 CO 0.13 0.29 -0.13 -0.26 0.00 0.00 0.00 178.15 178.18 3a3t h PHE 117 N 0.05 -0.33 -0.84 1.37 0.04 -0.60 -2.35 116.94 114.28 3a3t h PHE 117 Ca 0.05 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.89 3a3t h PHE 117 Cb 0.45 0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.72 3a3t h PHE 117 CO 0.05 -0.20 0.52 0.22 -0.60 0.00 0.00 178.31 178.30 3a3t h ASP 118 N -0.14 0.84 -0.87 2.17 3.58 -1.29 1.00 116.42 121.71 3a3t h ASP 118 Ca 0.11 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.60 3a3t h ASP 118 Cb 0.30 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.13 3a3t h ASP 118 CO -0.27 0.55 0.56 0.00 -2.88 0.00 0.00 179.24 177.21 3a3t h ALA 119 N 1.38 1.14 0.00 -0.78 0.00 -0.69 -1.03 119.26 119.28 3a3t h ALA 119 Ca 0.35 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 3a3t h ALA 119 Cb 0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3a3t h ALA 119 CO -0.15 0.41 -0.83 0.52 0.00 0.00 0.00 179.25 179.19 3a3t h MET 120 N 1.09 0.00 -0.30 0.00 2.86 -1.02 -1.14 114.93 116.42 3a3t h MET 120 Ca 0.35 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.91 3a3t h MET 120 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3a3t h MET 120 CO -0.12 0.87 -0.12 0.28 1.06 0.00 0.00 176.91 178.88 3a3t h VAL 121 N -1.00 1.29 0.03 -2.22 2.07 -0.88 -2.61 116.25 112.94 3a3t h VAL 121 Ca -0.22 -1.20 -0.39 0.00 0.82 0.00 0.00 66.70 65.72 3a3t h VAL 121 Cb 1.10 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 3a3t h VAL 121 CO -0.13 0.38 -2.30 0.59 0.02 0.00 0.00 177.57 176.13 3a3t n ASN 122 N -4.42 2.01 -0.11 0.57 5.03 -0.45 -4.50 115.26 113.38 3a3t n ASN 122 Ca -0.03 0.04 0.12 0.00 0.87 0.00 0.00 54.58 55.58 3a3t n ASN 122 Cb 0.36 -0.61 0.24 0.00 -1.02 0.00 0.00 39.78 38.75 3a3t n ASN 122 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 3a3t n GLN 123 N -3.51 0.34 -2.24 3.52 -0.06 -0.82 -4.96 117.38 109.65 3a3t n GLN 123 Ca -0.43 -0.21 -0.20 0.00 -2.00 0.00 0.00 57.00 54.16 3a3t n GLN 123 Cb 0.98 -1.50 -0.02 0.00 -4.06 0.00 0.00 30.24 25.64 3a3t n GLN 123 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 3a3t n LYS 124 N -1.15 -1.69 -2.19 3.69 4.76 -0.84 -4.95 118.16 115.81 3a3t n LYS 124 Ca 0.08 1.01 -0.41 0.00 -2.87 0.00 0.00 58.31 56.11 3a3t n LYS 124 Cb 0.35 -5.61 -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 -2.94 3.18 -1.44 -0.18 1.01 -0.49 -4.92 121.20 115.42 3a3t s ILE 125 Ca 0.00 0.95 -0.12 0.00 0.00 0.00 0.00 60.65 61.48 3a3t s ILE 125 Cb 0.00 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.92 3a3t s ILE 125 CO 0.00 0.13 2.26 1.17 0.00 0.00 0.00 174.94 178.50 3a3t n LYS 126 N 2.87 3.22 0.16 2.79 4.81 -1.26 -4.46 118.16 126.29 3a3t n LYS 126 Ca 0.07 -2.79 0.12 0.00 -0.87 0.00 0.00 58.31 54.84 3a3t n LYS 126 Cb 0.42 -3.11 0.57 0.00 0.02 0.00 0.00 35.03 32.93 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 8.90 0.00 -0.58 3.14 3.38 -1.94 -1.41 115.31 126.80 3a3t h LEU 127 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 3a3t h LEU 127 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3a3t h LEU 127 CO 1.80 0.00 0.00 0.00 0.09 0.00 0.00 178.44 180.33 3a3t n GLN 128 N -2.30 0.21 -2.96 1.13 0.00 -1.26 -4.40 117.38 107.79 3a3t n GLN 128 Ca 0.00 0.39 -0.42 0.00 0.00 0.00 0.00 57.00 56.96 3a3t n GLN 128 Cb 0.12 -1.86 -0.05 0.00 0.00 0.00 0.00 30.24 28.45 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 -4.29 6.53 0.22 2.61 3.84 -0.53 -4.68 114.94 118.64 3a3t s ASN 129 Ca 0.05 0.28 -0.08 0.00 0.21 0.00 0.00 52.86 53.33 3a3t s ASN 129 Cb 0.10 -2.39 0.26 0.00 -0.55 0.00 0.00 41.25 38.67 3a3t s ASN 129 CO 0.43 -0.76 1.84 -0.65 -2.79 0.00 0.00 177.10 175.17 3a3t h PRO 130 N 8.55 0.84 -0.38 0.43 0.11 -1.87 0.19 132.00 139.87 3a3t h PRO 130 Ca -0.25 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.83 3a3t h PRO 130 Cb 1.09 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 3a3t h PRO 130 CO 0.92 0.56 0.21 1.49 -0.21 0.00 0.00 178.00 180.97 3a3t h GLU 131 N 0.87 0.42 -0.08 1.05 4.81 -1.95 0.33 114.58 120.02 3a3t h GLU 131 Ca 0.33 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3a3t h GLU 131 Cb 0.12 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3a3t h GLU 131 CO -0.15 0.28 0.04 0.28 -0.73 0.00 0.00 179.01 178.72 3a3t h VAL 132 N 0.43 1.12 -0.02 0.32 2.07 -1.59 -2.50 116.25 116.07 3a3t h VAL 132 Ca 0.16 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3a3t h VAL 132 Cb 0.03 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3a3t h VAL 132 CO -0.09 0.10 -0.18 0.25 0.02 0.00 0.00 177.57 177.68 3a3t h LEU 133 N 0.01 -0.52 -0.74 2.57 5.85 -0.35 -1.17 115.31 120.95 3a3t h LEU 133 Ca 0.03 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3a3t h LEU 133 Cb 0.12 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3a3t h LEU 133 CO -0.00 -0.24 0.45 0.11 -0.34 0.00 0.00 178.44 178.42 3a3t h LYS 134 N -0.28 0.81 -0.36 1.25 1.57 -0.32 0.14 116.57 119.39 3a3t h LYS 134 Ca 0.06 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 3a3t h LYS 134 Cb 0.36 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3a3t h LYS 134 CO -0.18 0.54 -0.44 -0.22 -0.57 0.00 0.00 179.45 178.58 3a3t h LYS 135 N 0.84 0.92 -0.19 3.15 3.64 -1.32 -2.73 116.57 120.87 3a3t h LYS 135 Ca 0.32 -0.51 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3a3t h LYS 135 Cb 0.13 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3a3t h LYS 135 CO -0.16 1.16 0.09 2.35 -2.27 0.00 0.00 179.45 180.63 3a3t h TRP 136 N 0.74 0.27 -0.93 1.91 7.01 -0.45 -2.91 115.95 121.58 3a3t h TRP 136 Ca 0.05 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.12 3a3t h TRP 136 Cb 1.04 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.95 3a3t h TRP 136 CO 0.07 0.28 0.60 -0.07 -2.79 0.00 0.00 178.44 176.52 3a3t h LEU 137 N 0.18 0.89 -2.06 0.65 3.38 -0.72 -1.02 115.31 116.61 3a3t h LEU 137 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3a3t h LEU 137 Cb 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3a3t h LEU 137 CO -0.01 0.54 -0.03 1.23 0.09 0.00 0.00 178.44 180.26 3a3t h GLY 138 N 0.99 0.00 -1.53 0.83 0.00 -1.29 -2.68 103.07 99.39 3a3t h GLY 138 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3a3t h GLY 138 CO -0.18 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.54 3a3t n GLU 139 N -3.20 2.15 -2.78 4.80 1.02 -0.39 -4.84 120.64 117.40 3a3t n GLU 139 Ca -0.01 -1.67 -0.42 0.00 -0.02 0.00 0.00 57.16 55.04 3a3t n GLU 139 Cb 0.22 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.99 4.39 -0.17 3.49 -1.52 -1.01 -4.93 119.66 117.92 3a3t s GLN 140 Ca 0.31 1.24 0.06 0.00 -1.95 0.00 0.00 55.36 55.02 3a3t s GLN 140 Cb 0.20 -3.54 -0.14 0.00 -0.22 0.00 0.00 33.01 29.31 3a3t s GLN 140 CO 0.31 -0.27 -0.08 -2.37 -0.25 0.00 0.00 175.29 172.63 3a3t n THR 141 N 4.51 1.04 -0.19 -0.19 5.66 -1.26 -3.55 114.28 120.30 3a3t n THR 141 Ca 0.06 -0.49 0.12 0.00 -3.05 0.00 0.00 64.05 60.69 3a3t n THR 141 Cb 0.49 -0.94 0.43 0.00 -1.55 0.00 0.00 70.33 68.76 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 0.29 1.92 -1.96 1.79 0.00 -1.98 -3.42 119.26 115.89 3a3t h ALA 142 Ca -0.41 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.02 3a3t h ALA 142 Cb 1.75 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.29 3a3t h ALA 142 CO -0.03 -0.11 -0.57 -0.59 0.00 0.00 0.00 179.25 177.96 3a3t s PHE 143 N -5.55 1.78 -1.23 0.00 -0.71 -1.26 -4.94 117.98 106.08 3a3t s PHE 143 Ca -0.09 -1.17 -0.19 0.00 -1.04 0.00 0.00 56.93 54.44 3a3t s PHE 143 Cb 0.21 -1.12 -0.01 0.00 -1.21 0.00 0.00 43.02 40.88 3a3t s PHE 143 CO 0.77 -0.23 1.93 -3.47 -1.34 0.00 0.00 175.22 172.88 3a3t n ASP 144 N -0.93 3.89 -0.23 1.98 -0.08 -1.26 -4.76 116.55 115.16 3a3t n ASP 144 Ca -0.03 -2.81 0.12 0.00 -1.51 0.00 0.00 54.79 50.55 3a3t n ASP 144 Cb 0.66 -1.63 0.41 0.00 2.34 0.00 0.00 41.12 42.90 3a3t n ASP 144 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3a3t h GLY 145 N 13.34 1.02 1.33 0.27 0.00 -1.73 -1.95 103.07 115.35 3a3t h GLY 145 Ca 0.42 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 47.29 3a3t h GLY 145 CO 1.59 0.11 -0.68 0.50 0.00 0.00 0.00 176.54 178.06 3a3t h LYS 146 N 0.63 0.68 -0.70 4.80 1.57 -1.84 -0.14 116.57 121.57 3a3t h LYS 146 Ca 0.40 -0.50 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3a3t h LYS 146 Cb 0.67 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3a3t h LYS 146 CO -0.16 1.12 0.18 -0.22 -0.57 0.00 0.00 179.45 179.80 3a3t h LYS 147 N 0.49 1.10 -0.23 3.15 3.64 -1.76 -1.76 116.57 121.19 3a3t h LYS 147 Ca -0.02 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.03 3a3t h LYS 147 Cb 1.27 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3a3t h LYS 147 CO 0.13 0.96 -0.13 0.28 -2.27 0.00 0.00 179.45 178.42 3a3t h VAL 148 N 1.05 1.31 -0.88 2.00 2.07 -1.28 -2.30 116.25 118.22 3a3t h VAL 148 Ca 0.22 -1.23 0.12 0.00 0.82 0.00 0.00 66.70 66.63 3a3t h VAL 148 Cb 0.35 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3a3t h VAL 148 CO -0.00 0.38 0.57 0.25 0.02 0.00 0.00 177.57 178.78 3a3t h LEU 149 N 0.21 0.72 -0.33 2.57 5.85 -0.89 0.29 115.31 123.73 3a3t h LEU 149 Ca 0.05 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3a3t h LEU 149 Cb 0.64 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3a3t h LEU 149 CO 0.04 0.40 -0.01 0.00 -0.34 0.00 0.00 178.44 178.52 3a3t h ALA 150 N 1.58 0.45 -0.64 1.25 0.00 -1.11 -1.16 119.26 119.64 3a3t h ALA 150 Ca 0.42 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3a3t h ALA 150 Cb 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3a3t h ALA 150 CO -0.19 0.22 0.19 0.00 0.00 0.00 0.00 179.25 179.47 3a3t h ALA 151 N 0.84 1.13 -0.60 0.00 0.00 -0.76 -2.29 119.26 117.58 3a3t h ALA 151 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3a3t h ALA 151 Cb 0.47 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3a3t h ALA 151 CO 0.02 0.60 0.32 -0.92 0.00 0.00 0.00 179.25 179.27 3a3t h TYR 152 N 0.94 0.81 0.00 0.00 3.20 -0.11 -2.72 116.97 119.09 3a3t h TYR 152 Ca 0.21 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3a3t h TYR 152 Cb 0.29 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3a3t h TYR 152 CO 0.02 0.57 -0.40 0.93 -1.64 0.00 0.00 178.16 177.64 3a3t h GLU 153 N 0.83 0.00 -7.05 1.82 5.08 -0.73 -3.45 114.58 111.08 3a3t h GLU 153 Ca 0.21 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.07 3a3t h GLU 153 Cb 0.03 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.35 3a3t h GLU 153 CO -0.03 0.25 0.45 -1.54 -1.00 0.00 0.00 179.01 177.14 3a3t s SER 154 N -6.23 5.89 0.46 1.42 1.04 -0.91 -4.94 113.70 110.43 3a3t s SER 154 Ca 0.04 2.22 0.16 0.00 0.48 0.00 0.00 55.95 58.86 3a3t s SER 154 Cb 0.07 -2.59 1.08 0.00 0.10 0.00 0.00 66.02 64.68 3a3t s SER 154 CO 0.72 -1.11 2.01 -0.65 0.98 0.00 0.00 173.24 175.20 3a3t h PRO 155 N 1.51 0.00 -0.43 4.02 0.11 -1.87 -2.90 132.00 132.45 3a3t h PRO 155 Ca -0.50 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.69 3a3t h PRO 155 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3a3t h PRO 155 CO 0.58 0.17 0.29 1.49 -0.21 0.00 0.00 178.00 180.32 3a3t h GLU 156 N 0.00 0.24 -0.53 1.05 4.81 -1.92 -0.09 114.58 118.14 3a3t h GLU 156 Ca -0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3a3t h GLU 156 Cb 0.31 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3a3t h GLU 156 CO 0.02 0.16 0.01 0.66 -0.73 0.00 0.00 179.01 179.13 3a3t h SER 157 N 0.24 0.86 0.50 1.04 4.64 -1.67 -1.41 113.55 117.76 3a3t h SER 157 Ca 0.20 -0.22 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 3a3t h SER 157 Cb 0.46 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3a3t h SER 157 CO -0.04 0.92 -0.75 -0.61 -0.87 0.00 0.00 176.83 175.49 3a3t h GLN 158 N 0.83 0.20 -0.65 4.77 5.75 -1.22 -1.62 115.11 123.17 3a3t h GLN 158 Ca 0.16 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3a3t h GLN 158 Cb 0.48 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.04 3a3t h GLN 158 CO 0.02 0.86 0.43 0.00 -2.65 0.00 0.00 178.83 177.49 3a3t h ALA 159 N 1.09 0.83 -0.61 3.38 0.00 -0.83 0.71 119.26 123.82 3a3t h ALA 159 Ca -0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3a3t h ALA 159 Cb 1.31 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3a3t h ALA 159 CO 0.11 0.26 0.02 0.00 0.00 0.00 0.00 179.25 179.64 3a3t h ARG 160 N 0.88 1.07 -0.66 0.00 3.08 -1.12 -2.42 114.38 115.21 3a3t h ARG 160 Ca 0.24 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3a3t h ARG 160 Cb -0.10 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 3a3t h ARG 160 CO -0.05 1.03 0.16 0.00 -1.07 0.00 0.00 179.97 180.04 3a3t h ALA 161 N 1.03 1.05 -0.85 0.04 0.00 -0.84 -0.51 119.26 119.17 3a3t h ALA 161 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3a3t h ALA 161 Cb 0.53 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3a3t h ALA 161 CO 0.03 0.63 0.55 -0.44 0.00 0.00 0.00 179.25 180.01 3a3t h ASP 162 N 0.98 1.00 -0.53 0.00 3.32 -0.65 -0.95 116.42 119.59 3a3t h ASP 162 Ca 0.21 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 3a3t h ASP 162 Cb 0.34 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3a3t h ASP 162 CO 0.00 0.74 0.02 0.50 -1.72 0.00 0.00 179.24 178.78 3a3t h LYS 163 N 1.16 0.96 -0.95 3.56 1.63 -0.92 -1.43 116.57 120.58 3a3t h LYS 163 Ca 0.31 -0.28 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3a3t h LYS 163 Cb -0.10 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.38 3a3t h LYS 163 CO -0.06 0.94 0.58 0.52 -3.45 0.00 0.00 179.45 177.98 3a3t h MET 164 N 0.89 1.28 -0.50 1.90 2.86 -0.50 0.30 114.93 121.15 3a3t h MET 164 Ca 0.17 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3a3t h MET 164 Cb 0.50 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3a3t h MET 164 CO 0.02 0.89 -0.09 0.37 1.06 0.00 0.00 176.91 179.16 3a3t h GLN 165 N 1.31 0.91 -0.55 1.72 4.15 -0.87 -1.23 115.11 120.55 3a3t h GLN 165 Ca 0.34 -0.31 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 3a3t h GLN 165 Cb -0.07 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3a3t h GLN 165 CO -0.07 0.96 0.09 1.49 -1.93 0.00 0.00 178.83 179.37 3a3t h GLU 166 N 0.82 0.91 -0.47 1.69 4.22 -0.75 -1.70 114.58 119.30 3a3t h GLU 166 Ca 0.14 -0.25 0.00 0.00 0.08 0.00 0.00 59.36 59.33 3a3t h GLU 166 Cb 0.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3a3t h GLU 166 CO 0.04 0.88 0.29 -0.07 -2.18 0.00 0.00 179.01 177.98 3a3t h LEU 167 N 0.80 0.55 -0.40 1.64 3.38 -0.68 0.14 115.31 120.75 3a3t h LEU 167 Ca 0.17 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3a3t h LEU 167 Cb 0.42 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3a3t h LEU 167 CO 0.01 0.43 0.06 0.74 0.09 0.00 0.00 178.44 179.77 3a3t h THR 168 N 0.63 0.76 0.02 0.22 2.02 -1.07 -2.15 112.91 113.33 3a3t h THR 168 Ca 0.17 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 3a3t h THR 168 Cb -0.03 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3a3t h THR 168 CO -0.03 0.03 -0.01 -0.33 0.37 0.00 0.00 175.52 175.55 3a3t h GLU 169 N 0.18 -0.02 -0.87 6.66 5.08 -1.03 -0.35 114.58 124.23 3a3t h GLU 169 Ca 0.20 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3a3t h GLU 169 Cb 0.25 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 3a3t h GLU 169 CO -0.28 0.69 0.54 1.15 -1.00 0.00 0.00 179.01 180.11 3a3t h THR 170 N -0.79 1.04 -0.47 1.13 2.02 -0.75 -2.42 112.91 112.67 3a3t h THR 170 Ca -0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3a3t h THR 170 Cb 0.72 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3a3t h THR 170 CO 0.00 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.56 3a3t n PHE 171 N -4.62 0.61 -3.66 3.16 3.72 -0.81 -4.97 117.46 110.89 3a3t n PHE 171 Ca 0.13 -0.33 -0.23 0.00 -0.05 0.00 0.00 57.45 56.97 3a3t n PHE 171 Cb 0.19 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.78 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 1.41 -5.94 -2.34 -1.08 6.02 -0.34 -4.87 117.38 110.24 3a3t n GLN 172 Ca 0.20 0.70 -0.39 0.00 -0.01 0.00 0.00 57.00 57.50 3a3t n GLN 172 Cb 0.58 -5.52 -0.03 0.00 1.02 0.00 0.00 30.24 26.29 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 -3.46 3.59 -2.15 5.09 -1.09 -0.29 -4.81 121.20 118.08 3a3t s ILE 173 Ca 0.23 0.18 0.19 0.00 -2.23 0.00 0.00 60.65 59.02 3a3t s ILE 173 Cb -0.11 -4.53 0.10 0.00 -1.58 0.00 0.00 42.46 36.34 3a3t s ILE 173 CO 0.78 -1.48 1.05 -0.90 -1.23 0.00 0.00 174.94 173.16 3a3t n ASP 174 N 10.80 2.33 -4.15 3.58 5.75 -1.26 -4.91 116.55 128.70 3a3t n ASP 174 Ca 0.14 -1.67 -0.10 0.00 -0.01 0.00 0.00 54.79 53.15 3a3t n ASP 174 Cb 0.50 0.14 -0.10 0.00 -1.03 0.00 0.00 41.12 40.63 3a3t n ASP 174 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3a3t s GLY 175 N -1.72 0.70 -0.00 6.12 0.00 -1.26 -5.16 107.32 106.00 3a3t s GLY 175 Ca 0.20 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.66 3a3t s GLY 175 CO 0.30 -1.38 -0.05 -0.51 0.00 0.00 0.00 173.10 171.47 3a3t s THR 176 N -3.46 0.38 0.52 0.90 -4.23 -1.26 -3.95 115.64 104.54 3a3t s THR 176 Ca 0.09 -0.23 -0.17 0.00 -1.18 0.00 0.00 61.69 60.20 3a3t s THR 176 Cb 0.04 -0.33 -0.07 0.00 1.34 0.00 0.00 72.50 73.48 3a3t s THR 176 CO -0.05 0.09 1.00 -2.16 -0.54 0.00 0.00 174.62 172.96 3a3t s PRO 177 N -0.16 3.82 -0.16 3.99 0.05 -1.26 -4.82 135.00 136.46 3a3t s PRO 177 Ca 0.01 1.05 -0.01 0.00 0.05 0.00 0.00 61.00 62.11 3a3t s PRO 177 Cb -0.02 -2.11 0.04 0.00 0.05 0.00 0.00 34.50 32.46 3a3t s PRO 177 CO -0.00 -0.38 -0.05 0.99 0.05 0.00 0.00 177.00 177.61 3a3t s THR 178 N -2.50 1.05 -0.20 1.26 2.01 -0.64 -4.99 115.64 111.63 3a3t s THR 178 Ca 0.61 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 3a3t s THR 178 Cb -0.12 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 3a3t s THR 178 CO 0.30 0.12 0.03 -0.69 -0.69 0.00 0.00 174.62 173.69 3a3t s VAL 179 N 1.66 4.30 -0.05 3.82 1.01 -1.26 -0.29 120.40 129.59 3a3t s VAL 179 Ca 0.01 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.84 3a3t s VAL 179 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 3a3t s VAL 179 CO -0.08 0.43 -0.19 -0.63 0.00 0.00 0.00 175.10 174.64 3a3t s ILE 180 N 0.79 2.65 -0.10 2.22 -1.09 0.83 -0.89 121.20 125.61 3a3t s ILE 180 Ca 0.02 -0.87 0.02 0.00 -2.23 0.00 0.00 60.65 57.59 3a3t s ILE 180 Cb -0.14 -2.01 -0.01 0.00 -1.58 0.00 0.00 42.46 38.72 3a3t s ILE 180 CO 0.02 0.58 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.45 3a3t s VAL 181 N -0.49 2.70 -1.90 2.92 1.01 0.13 0.33 120.40 125.11 3a3t s VAL 181 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3a3t s VAL 181 Cb -0.12 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.18 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 3.26 1.51 3.50 4.51 0.00 0.14 -1.91 105.19 116.21 3a3t n GLY 182 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.76 0.72 0.00 -0.02 0.00 -1.26 -4.76 105.19 99.11 3a3t n GLY 183 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 3.15 -4.31 1.61 5.02 -0.80 -0.61 118.16 120.22 3a3t n LYS 184 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3a3t n LYS 184 Cb 0.00 -0.98 -0.17 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.96 2.12 -0.11 2.13 2.02 -0.93 -1.12 117.35 119.50 3a3t s TYR 185 Ca 0.00 -1.08 -0.24 0.00 -0.37 0.00 0.00 57.07 55.38 3a3t s TYR 185 Cb 0.00 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 3a3t s TYR 185 CO 0.00 -0.56 0.73 0.21 -1.57 0.00 0.00 175.55 174.36 3a3t s LYS 186 N 1.16 4.37 0.04 -0.62 2.20 0.18 -0.69 119.74 126.38 3a3t s LYS 186 Ca -0.02 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 3a3t s LYS 186 Cb -0.14 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 3a3t s LYS 186 CO -0.05 -0.08 1.04 0.08 -0.36 0.00 0.00 175.35 175.98 3a3t s VAL 187 N 1.29 4.55 -0.41 4.02 1.01 -0.07 -0.22 120.40 130.57 3a3t s VAL 187 Ca 0.37 1.88 -0.15 0.00 0.00 0.00 0.00 61.98 64.07 3a3t s VAL 187 Cb -0.17 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.02 3a3t s VAL 187 CO 0.16 0.17 0.32 -1.61 0.00 0.00 0.00 175.10 174.14 3a3t s GLU 188 N 0.83 3.00 -0.41 2.72 0.41 0.03 -4.65 118.70 120.63 3a3t s GLU 188 Ca 0.53 -0.97 -0.24 0.00 -0.41 0.00 0.00 54.97 53.88 3a3t s GLU 188 Cb -0.24 -3.98 0.02 0.00 -1.78 0.00 0.00 34.13 28.15 3a3t s GLU 188 CO 0.29 -0.77 0.82 -0.06 -0.49 0.00 0.00 175.26 175.05 3a3t s PHE 189 N 1.76 3.04 0.00 1.61 0.08 -1.26 -4.74 117.98 118.47 3a3t s PHE 189 Ca 0.06 0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.53 3a3t s PHE 189 Cb -0.19 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 3a3t s PHE 189 CO 0.11 -0.88 0.49 0.00 -0.10 0.00 0.00 175.22 174.83 3a3t n ALA 190 N 6.67 -0.20 -2.41 5.36 0.00 -1.26 -4.95 120.51 123.71 3a3t n ALA 190 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 3a3t n ALA 190 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.17 1.86 0.43 0.00 -4.77 -1.26 -5.04 116.67 105.72 3a3t s ASP 191 Ca 0.00 -0.89 0.17 0.00 -3.30 0.00 0.00 52.55 48.54 3a3t s ASP 191 Cb 0.00 -0.04 1.10 0.00 -1.09 0.00 0.00 42.92 42.89 3a3t s ASP 191 CO 0.00 -0.23 1.90 -0.50 0.70 0.00 0.00 175.17 177.05 3a3t h TRP 192 N 3.24 0.46 -0.03 2.11 -0.00 -1.99 -0.14 115.95 119.60 3a3t h TRP 192 Ca -0.38 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.49 3a3t h TRP 192 Cb 1.19 -0.14 0.00 0.00 -0.00 0.00 0.00 29.16 30.21 3a3t h TRP 192 CO 0.65 0.16 -0.10 0.93 -0.00 0.00 0.00 178.44 180.08 3a3t h GLU 193 N 0.38 0.12 0.00 0.49 3.07 -2.00 -2.87 114.58 113.77 3a3t h GLU 193 Ca 0.40 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3a3t h GLU 193 Cb 0.99 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3a3t h GLU 193 CO -0.13 0.72 0.00 -1.13 -1.40 0.00 0.00 179.01 177.07 3a3t n SER 194 N -4.67 0.53 0.07 1.42 3.41 -0.82 -1.90 113.62 111.66 3a3t n SER 194 Ca -0.09 0.62 -0.13 0.00 -0.26 0.00 0.00 58.87 59.01 3a3t n SER 194 Cb 0.37 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 3a3t n SER 194 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3a3t h GLY 195 N 2.71 0.42 1.64 5.00 0.00 -1.01 -3.14 103.07 108.70 3a3t h GLY 195 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 47.33 46.58 3a3t h GLY 195 CO 0.00 0.67 0.21 -0.33 0.00 0.00 0.00 176.54 177.09 3a3t h MET 196 N 0.21 0.35 -0.42 4.80 2.86 -1.15 -0.57 114.93 121.01 3a3t h MET 196 Ca -0.08 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 3a3t h MET 196 Cb 1.60 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 3a3t h MET 196 CO 0.16 0.23 0.02 -0.91 1.06 0.00 0.00 176.91 177.48 3a3t h ASN 197 N 0.36 0.71 -0.53 1.22 -0.26 -1.54 -2.19 115.58 113.34 3a3t h ASN 197 Ca 0.12 -0.29 -0.05 0.00 -0.56 0.00 0.00 56.30 55.52 3a3t h ASN 197 Cb 0.04 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.09 3a3t h ASN 197 CO -0.03 0.82 0.14 0.74 -1.06 0.00 0.00 177.43 178.05 3a3t h THR 198 N 0.57 1.23 -0.41 2.81 2.02 -1.25 -1.12 112.91 116.76 3a3t h THR 198 Ca 0.12 -0.85 0.03 0.00 0.77 0.00 0.00 66.41 66.48 3a3t h THR 198 Cb 0.45 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3a3t h THR 198 CO 0.02 0.32 0.22 0.40 0.37 0.00 0.00 175.52 176.84 3a3t h ILE 199 N 0.86 1.00 -0.47 3.11 2.04 -0.94 0.20 117.51 123.31 3a3t h ILE 199 Ca 0.19 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 3a3t h ILE 199 Cb 0.31 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3a3t h ILE 199 CO -0.00 0.08 0.06 0.44 0.00 0.00 0.00 178.15 178.73 3a3t h ASP 200 N 0.44 0.76 -0.23 1.72 3.32 -1.00 0.45 116.42 121.87 3a3t h ASP 200 Ca 0.17 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3a3t h ASP 200 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3a3t h ASP 200 CO -0.11 0.84 0.13 -0.07 -1.72 0.00 0.00 179.24 178.31 3a3t h LEU 201 N 0.65 0.29 -1.03 1.55 3.38 -1.02 -2.40 115.31 116.74 3a3t h LEU 201 Ca 0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3a3t h LEU 201 Cb 0.41 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3a3t h LEU 201 CO 0.01 0.29 0.35 -0.07 0.09 0.00 0.00 178.44 179.12 3a3t h LEU 202 N 0.27 0.94 -1.05 1.67 3.38 -0.42 -1.09 115.31 119.01 3a3t h LEU 202 Ca 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3a3t h LEU 202 Cb 0.07 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3a3t h LEU 202 CO -0.01 0.80 0.46 0.00 0.09 0.00 0.00 178.44 179.77 3a3t h ALA 203 N 1.35 1.28 -0.34 1.53 0.00 -0.70 0.90 119.26 123.28 3a3t h ALA 203 Ca 0.25 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3a3t h ALA 203 Cb 0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3a3t h ALA 203 CO -0.03 0.60 -0.44 -0.44 0.00 0.00 0.00 179.25 178.93 3a3t h ASP 204 N 1.13 0.96 -0.88 0.00 3.32 -0.93 -0.46 116.42 119.55 3a3t h ASP 204 Ca 0.29 -0.46 0.04 0.00 0.02 0.00 0.00 57.03 56.92 3a3t h ASP 204 Cb 0.00 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.23 3a3t h ASP 204 CO -0.05 1.25 0.56 0.50 -1.72 0.00 0.00 179.24 179.78 3a3t h LYS 205 N 0.71 1.03 -0.13 3.56 3.64 -0.51 -0.26 116.57 124.61 3a3t h LYS 205 Ca 0.04 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 3a3t h LYS 205 Cb 1.03 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3a3t h LYS 205 CO 0.10 0.68 -0.69 0.28 -2.27 0.00 0.00 179.45 177.55 3a3t h VAL 206 N 1.06 1.34 -0.38 2.00 2.07 -0.65 -2.43 116.25 119.26 3a3t h VAL 206 Ca 0.36 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 3a3t h VAL 206 Cb 0.07 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3a3t h VAL 206 CO -0.14 0.62 0.11 0.03 0.02 0.00 0.00 177.57 178.21 3a3t h ARG 207 N 0.38 0.59 -0.60 1.57 3.08 -0.73 -0.65 114.38 118.01 3a3t h ARG 207 Ca -0.02 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 59.96 3a3t h ARG 207 Cb 1.27 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 3a3t h ARG 207 CO 0.13 0.60 0.40 0.93 -1.07 0.00 0.00 179.97 180.96 3a3t h GLU 208 N 0.46 0.54 -0.13 0.04 4.39 -1.02 -2.53 114.58 116.33 3a3t h GLU 208 Ca 0.12 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 3a3t h GLU 208 Cb 0.26 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3a3t h GLU 208 CO -0.00 0.36 -0.28 0.93 -1.16 0.00 0.00 179.01 178.86 3a3t h GLU 209 N 0.56 0.42 -0.71 2.33 5.08 -0.90 -3.08 114.58 118.27 3a3t h GLU 209 Ca 0.26 -0.28 0.17 0.00 -1.00 0.00 0.00 59.36 58.52 3a3t h GLU 209 Cb 0.32 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3a3t h GLU 209 CO -0.08 0.88 0.49 1.96 -1.00 0.00 0.00 179.01 181.26 3a3t h GLN 210 N 0.02 0.21 -3.37 2.33 4.20 -0.72 -3.07 115.11 114.71 3a3t h GLN 210 Ca 0.00 -0.01 -0.67 0.00 0.06 0.00 0.00 58.65 58.03 3a3t h GLN 210 Cb 0.87 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.61 3a3t h GLN 210 CO 0.06 0.14 3.55 1.63 -0.67 0.00 0.00 178.83 183.54 3a3t n LYS 211 N -4.42 3.32 0.00 1.46 5.02 -1.06 -5.12 118.16 117.36 3a3t n LYS 211 Ca 0.14 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.14 3a3t n LYS 211 Cb 0.64 -2.94 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 3a3t n LYS 211 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88