#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 1.26 -4.92 -2.24 9.92 -1.26 -5.02 116.55 114.29 3a3t n ASP -3 Ca 0.00 0.78 -0.26 0.00 -0.53 0.00 0.00 54.79 54.78 3a3t n ASP -3 Cb 0.00 -1.47 0.01 0.00 -0.64 0.00 0.00 41.12 39.03 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 -1.42 5.92 0.08 -2.24 1.01 -1.26 -5.11 116.67 113.66 3a3t s ASP -2 Ca 0.79 0.67 -0.13 0.00 0.71 0.00 0.00 52.55 54.58 3a3t s ASP -2 Cb -0.38 -1.87 0.02 0.00 1.01 0.00 0.00 42.92 41.69 3a3t s ASP -2 CO 0.45 -0.76 0.30 -1.59 0.21 0.00 0.00 175.17 173.78 3a3t s LYS -1 N -4.76 0.91 0.12 8.23 -2.85 -1.24 -5.08 119.74 115.07 3a3t s LYS -1 Ca 0.49 -0.71 -0.35 0.00 -1.00 0.00 0.00 55.97 54.41 3a3t s LYS -1 Cb -0.10 0.39 -0.16 0.00 -2.06 0.00 0.00 37.83 35.89 3a3t s LYS -1 CO 0.43 -0.31 1.27 0.00 0.10 0.00 0.00 175.35 176.83 3a3t n ALA 24 N 0.12 -0.91 -0.75 0.59 0.00 -1.26 -0.11 120.51 118.20 3a3t n ALA 24 Ca -0.17 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3a3t n ALA 24 Cb 0.62 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 2.31 1.27 2.19 0.00 0.00 -1.26 -4.91 105.19 104.79 3a3t n GLY 25 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 0.67 -4.26 0.99 7.94 0.84 -4.77 117.00 118.42 3a3t n LEU 26 Ca 0.00 -4.93 -0.33 0.00 -1.11 0.00 0.00 56.01 49.64 3a3t n LEU 26 Cb 0.00 0.70 -0.15 0.00 0.53 0.00 0.00 43.42 44.50 3a3t n LEU 26 CO 0.00 2.23 -0.47 -0.69 -1.11 0.00 0.00 177.39 177.35 3a3t s VAL 27 N -2.12 2.69 0.23 1.96 1.01 -1.26 -3.65 120.40 119.27 3a3t s VAL 27 Ca 0.39 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 3a3t s VAL 27 Cb 0.30 -2.15 -0.12 0.00 0.00 0.00 0.00 36.38 34.42 3a3t s VAL 27 CO -0.09 0.51 1.68 -0.70 0.00 0.00 0.00 175.10 176.50 3a3t s GLU 28 N 0.93 4.13 0.00 2.72 2.12 -1.26 -0.62 118.70 126.72 3a3t s GLU 28 Ca -0.03 2.59 0.00 0.00 0.36 0.00 0.00 54.97 57.89 3a3t s GLU 28 Cb -0.15 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.18 3a3t s GLU 28 CO -0.02 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 3a3t n GLY 29 N 3.45 3.30 0.58 -1.50 0.00 -0.03 -4.81 105.19 106.18 3a3t n GLY 29 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.93 0.27 -0.04 1.61 -0.06 -0.57 -4.86 117.38 111.80 3a3t n GLN 30 Ca 0.00 0.12 0.04 0.00 -2.00 0.00 0.00 57.00 55.15 3a3t n GLN 30 Cb 0.00 -0.97 -0.15 0.00 -4.06 0.00 0.00 30.24 25.06 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 -3.76 0.46 -3.70 1.69 3.02 0.21 -4.75 115.26 108.43 3a3t n ASN 31 Ca -0.18 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.27 3a3t n ASN 31 Cb 0.50 1.60 -0.03 0.00 -0.61 0.00 0.00 39.78 41.24 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 -3.08 -0.22 0.11 3.10 -0.85 -1.21 -0.84 117.35 114.37 3a3t s TYR 32 Ca -0.08 -0.12 0.07 0.00 -0.52 0.00 0.00 57.07 56.42 3a3t s TYR 32 Cb 0.10 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 3a3t s TYR 32 CO 0.80 -0.97 -0.18 0.99 -1.52 0.00 0.00 175.55 174.68 3a3t s THR 33 N -3.86 1.52 -0.27 -3.49 2.01 0.56 -0.85 115.64 111.26 3a3t s THR 33 Ca 0.08 -1.59 -0.12 0.00 0.31 0.00 0.00 61.69 60.37 3a3t s THR 33 Cb -0.02 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 3a3t s THR 33 CO -0.03 -0.21 0.21 -0.69 -0.69 0.00 0.00 174.62 173.21 3a3t s VAL 34 N -1.54 5.30 0.25 3.82 1.01 -1.26 -0.14 120.40 127.83 3a3t s VAL 34 Ca 0.07 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3a3t s VAL 34 Cb -0.08 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 3a3t s VAL 34 CO 0.04 0.25 1.38 -0.76 0.00 0.00 0.00 175.10 176.01 3a3t s LEU 35 N 1.69 4.40 0.39 3.92 1.02 -0.31 -4.92 118.68 124.88 3a3t s LEU 35 Ca 0.08 2.60 0.15 0.00 0.02 0.00 0.00 54.13 56.98 3a3t s LEU 35 Cb -0.16 -3.62 0.81 0.00 0.02 0.00 0.00 46.19 43.24 3a3t s LEU 35 CO 0.10 -0.62 1.85 0.00 0.02 0.00 0.00 176.35 177.71 3a3t h ALA 36 N 4.79 1.35 -3.27 4.21 0.00 -1.97 -3.41 119.26 120.97 3a3t h ALA 36 Ca -0.46 -0.30 -0.41 0.00 0.00 0.00 0.00 54.91 53.74 3a3t h ALA 36 Cb 1.22 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.57 3a3t h ALA 36 CO 0.75 0.42 -0.75 -0.80 0.00 0.00 0.00 179.25 178.87 3a3t s ASN 37 N -6.80 1.46 0.42 0.00 0.01 -1.26 -5.14 114.94 103.63 3a3t s ASN 37 Ca -0.03 -0.07 -0.26 0.00 -0.71 0.00 0.00 52.86 51.79 3a3t s ASN 37 Cb 0.14 -0.26 -0.10 0.00 0.41 0.00 0.00 41.25 41.44 3a3t s ASN 37 CO 0.70 -0.24 1.36 -2.65 -1.51 0.00 0.00 177.10 174.76 3a3t n PRO 38 N 5.24 2.17 -2.98 -0.60 -0.02 -1.26 -4.97 135.00 132.57 3a3t n PRO 38 Ca -0.05 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3a3t n PRO 38 Cb 0.50 -2.51 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 3a3t n PRO 38 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a3t s ILE 39 N -1.18 4.93 0.13 4.25 1.01 -0.09 -5.01 121.20 125.25 3a3t s ILE 39 Ca 0.59 1.45 -0.33 0.00 0.00 0.00 0.00 60.65 62.36 3a3t s ILE 39 Cb -0.49 -4.06 -0.13 0.00 0.01 0.00 0.00 42.46 37.80 3a3t s ILE 39 CO 0.59 0.05 1.69 -2.65 0.00 0.00 0.00 174.94 174.62 3a3t n PRO 40 N 5.26 2.41 -1.88 2.79 -0.02 -1.26 -4.41 135.00 137.89 3a3t n PRO 40 Ca 0.02 0.87 -0.31 0.00 -2.02 0.00 0.00 63.50 62.06 3a3t n PRO 40 Cb 0.49 -2.69 0.02 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 1.68 3.37 0.31 -0.52 -0.21 -1.26 -4.97 119.66 118.05 3a3t s GLN 41 Ca 0.80 0.93 0.10 0.00 0.02 0.00 0.00 55.36 57.21 3a3t s GLN 41 Cb -0.61 -2.05 0.50 0.00 1.00 0.00 0.00 33.01 31.85 3a3t s GLN 41 CO 0.38 -0.75 1.70 1.96 -2.12 0.00 0.00 175.29 176.46 3a3t h GLN 42 N -0.14 0.06 -5.30 2.91 4.20 -2.00 -3.43 115.11 111.41 3a3t h GLN 42 Ca -0.45 -0.03 -0.58 0.00 0.06 0.00 0.00 58.65 57.65 3a3t h GLN 42 Cb 1.20 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.67 3a3t h GLN 42 CO 0.59 0.54 -0.84 -0.65 -0.67 0.00 0.00 178.83 177.80 3a3t s GLN 43 N -3.93 1.93 0.01 1.46 -0.21 -1.26 -5.09 119.66 112.57 3a3t s GLN 43 Ca -0.03 -0.64 -0.02 0.00 0.02 0.00 0.00 55.36 54.70 3a3t s GLN 43 Cb 0.13 -1.65 -0.01 0.00 1.00 0.00 0.00 33.01 32.49 3a3t s GLN 43 CO 0.75 0.23 1.03 0.00 -2.12 0.00 0.00 175.29 175.19 3a3t h ALA 44 N 6.33 -0.63 -0.42 6.09 0.00 -2.03 -3.27 119.26 125.33 3a3t h ALA 44 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3a3t h ALA 44 Cb 1.18 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3a3t h ALA 44 CO 0.48 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.50 3a3t n GLY 45 N -1.03 1.35 2.61 0.00 0.00 -1.26 -4.95 105.19 101.91 3a3t n GLY 45 Ca -0.01 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 1.07 -0.34 -3.82 1.61 5.02 -1.24 -5.06 118.16 115.40 3a3t n LYS 46 Ca 0.18 -1.62 -0.35 0.00 -2.02 0.00 0.00 58.31 54.50 3a3t n LYS 46 Cb 0.48 -0.67 -0.12 0.00 -0.02 0.00 0.00 35.03 34.70 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 -2.45 3.12 -0.07 -0.18 1.01 0.65 -4.98 120.40 117.50 3a3t s VAL 47 Ca 0.47 -2.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 3a3t s VAL 47 Cb -0.02 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 3a3t s VAL 47 CO 0.32 -0.65 0.79 -0.70 0.00 0.00 0.00 175.10 174.87 3a3t s GLU 48 N 1.11 4.44 -0.35 2.72 2.12 -1.26 -1.78 118.70 125.69 3a3t s GLU 48 Ca 0.08 1.03 -0.11 0.00 0.36 0.00 0.00 54.97 56.33 3a3t s GLU 48 Cb -0.22 -3.48 0.01 0.00 0.26 0.00 0.00 34.13 30.70 3a3t s GLU 48 CO -0.05 -0.04 0.21 0.08 -0.54 0.00 0.00 175.26 174.92 3a3t s VAL 49 N 1.11 4.79 -0.21 3.70 1.01 0.12 -0.29 120.40 130.62 3a3t s VAL 49 Ca 0.41 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3a3t s VAL 49 Cb -0.18 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3a3t s VAL 49 CO 0.19 -0.12 -0.06 -0.22 0.00 0.00 0.00 175.10 174.89 3a3t s LEU 50 N 1.62 2.81 -0.27 3.92 2.96 0.16 0.32 118.68 130.19 3a3t s LEU 50 Ca 0.04 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 3a3t s LEU 50 Cb -0.18 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 3a3t s LEU 50 CO 0.08 -0.01 0.05 -0.70 -1.32 0.00 0.00 176.35 174.45 3a3t s GLU 51 N 1.41 3.28 0.03 1.98 2.12 0.13 0.37 118.70 128.01 3a3t s GLU 51 Ca 0.05 -0.72 -0.24 0.00 0.36 0.00 0.00 54.97 54.42 3a3t s GLU 51 Cb -0.14 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 3a3t s GLU 51 CO -0.04 -0.33 0.73 -0.06 -0.54 0.00 0.00 175.26 175.02 3a3t s PHE 52 N 1.52 3.72 0.33 5.30 0.08 0.61 -0.73 117.98 128.81 3a3t s PHE 52 Ca 0.04 1.41 0.01 0.00 0.12 0.00 0.00 56.93 58.51 3a3t s PHE 52 Cb -0.16 -2.78 -0.01 0.00 -0.57 0.00 0.00 43.02 39.50 3a3t s PHE 52 CO 0.01 0.28 0.40 -0.59 -0.10 0.00 0.00 175.22 175.22 3a3t s PHE 53 N -0.03 1.28 -0.05 0.36 -0.71 -0.32 -1.59 117.98 116.91 3a3t s PHE 53 Ca 0.37 -1.41 -0.04 0.00 -1.04 0.00 0.00 56.93 54.82 3a3t s PHE 53 Cb -0.20 -0.30 0.02 0.00 -1.21 0.00 0.00 43.02 41.33 3a3t s PHE 53 CO 0.22 -1.03 0.13 0.20 -1.34 0.00 0.00 175.22 173.40 3a3t s GLY 54 N -3.27 -0.07 0.42 1.99 0.00 -1.26 -1.35 107.32 103.78 3a3t s GLY 54 Ca 0.34 0.46 0.29 0.00 0.00 0.00 0.00 44.72 45.81 3a3t s GLY 54 CO 0.22 0.54 1.89 -0.97 0.00 0.00 0.00 173.10 174.78 3a3t h TYR 55 N 6.40 0.00 -0.00 1.90 0.05 -1.96 0.44 116.97 123.79 3a3t h TYR 55 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.47 3a3t h TYR 55 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3a3t h TYR 55 CO 0.42 0.00 -0.28 1.97 -1.05 0.00 0.00 178.16 179.22 3a3t n PHE 56 N -2.56 0.00 -3.14 4.88 -1.74 -1.26 -4.43 117.46 109.21 3a3t n PHE 56 Ca -0.01 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.45 3a3t n PHE 56 Cb 0.12 -0.18 -0.07 0.00 1.52 0.00 0.00 39.48 40.88 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 8.90 1.04 -1.00 0.00 0.11 -1.89 -1.43 132.00 137.75 3a3t h PRO 58 Ca -0.26 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.82 3a3t h PRO 58 Cb 1.10 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 31.92 3a3t h PRO 58 CO 0.90 0.69 0.66 0.45 -0.21 0.00 0.00 178.00 180.49 3a3t h HIS 59 N 1.08 1.23 -0.31 0.65 3.86 -1.92 -2.63 115.15 117.11 3a3t h HIS 59 Ca 0.30 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.52 3a3t h HIS 59 Cb -0.10 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 27.95 3a3t h HIS 59 CO -0.02 0.73 0.12 0.00 0.86 0.00 0.00 177.93 179.62 3a3t h ALA 61 N 0.96 1.96 0.06 0.00 0.00 -0.96 -1.79 119.26 119.49 3a3t h ALA 61 Ca 0.10 0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 3a3t h ALA 61 Cb 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3a3t h ALA 61 CO -0.01 -0.38 -1.32 0.45 0.00 0.00 0.00 179.25 178.00 3a3t h HIS 62 N 0.54 0.25 0.00 0.00 3.86 -1.08 -3.35 115.15 115.36 3a3t h HIS 62 Ca 0.60 -0.18 -0.13 0.00 -1.16 0.00 0.00 60.37 59.50 3a3t h HIS 62 Cb 1.26 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.70 3a3t h HIS 62 CO -0.00 1.18 -0.62 1.25 0.86 0.00 0.00 177.93 180.60 3a3t h LEU 63 N 0.04 0.00 -0.12 2.43 5.85 -0.33 -3.34 115.31 119.84 3a3t h LEU 63 Ca -0.15 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3a3t h LEU 63 Cb 1.92 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.94 3a3t h LEU 63 CO 0.15 0.62 0.04 -0.33 -0.34 0.00 0.00 178.44 178.58 3a3t h GLU 64 N 0.00 0.10 -0.59 1.25 5.08 -1.53 0.42 114.58 119.31 3a3t h GLU 64 Ca -0.01 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 3a3t h GLU 64 Cb 1.11 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 3a3t h GLU 64 CO 0.08 0.07 0.15 -1.35 -1.00 0.00 0.00 179.01 176.96 3a3t h PRO 65 N 0.11 0.29 -0.45 2.33 0.11 -1.78 0.91 132.00 133.52 3a3t h PRO 65 Ca 0.05 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 3a3t h PRO 65 Cb 0.02 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3a3t h PRO 65 CO -0.05 0.19 -0.07 0.28 -0.21 0.00 0.00 178.00 178.14 3a3t h VAL 66 N 0.30 1.27 -0.03 3.15 2.07 -1.61 -2.31 116.25 119.09 3a3t h VAL 66 Ca 0.31 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3a3t h VAL 66 Cb 0.44 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3a3t h VAL 66 CO -0.37 0.40 -0.09 0.25 0.02 0.00 0.00 177.57 177.78 3a3t h LEU 67 N 0.68 0.13 -0.38 2.57 5.85 -0.49 -2.15 115.31 121.51 3a3t h LEU 67 Ca 0.12 -0.62 0.07 0.00 0.84 0.00 0.00 57.88 58.30 3a3t h LEU 67 Cb 0.60 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3a3t h LEU 67 CO 0.04 0.72 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.51 3a3t h SER 68 N -0.46 -0.30 -0.42 1.25 0.87 -0.90 -0.03 113.55 113.56 3a3t h SER 68 Ca -0.00 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 3a3t h SER 68 Cb 0.71 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.81 3a3t h SER 68 CO 0.02 -0.10 -0.48 0.50 -0.53 0.00 0.00 176.83 176.24 3a3t h LYS 69 N 0.03 -0.28 -0.68 2.24 1.63 -1.37 -1.31 116.57 116.83 3a3t h LYS 69 Ca 0.18 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.07 3a3t h LYS 69 Cb 0.28 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 3a3t h LYS 69 CO -0.37 -0.19 0.45 1.25 -3.45 0.00 0.00 179.45 177.14 3a3t h HIS 70 N -0.29 0.68 -0.25 1.91 2.76 -0.74 -1.76 115.15 117.46 3a3t h HIS 70 Ca 0.07 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3a3t h HIS 70 Cb 0.48 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3a3t h HIS 70 CO -0.75 0.36 0.17 0.00 -1.30 0.00 0.00 177.93 176.41 3a3t h ALA 71 N 1.64 2.10 -0.30 5.26 0.00 0.18 -1.27 119.26 126.86 3a3t h ALA 71 Ca 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3a3t h ALA 71 Cb 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3a3t h ALA 71 CO -0.09 -0.16 -0.03 0.87 0.00 0.00 0.00 179.25 179.84 3a3t h LYS 72 N 0.11 0.47 -0.04 0.00 1.57 -1.13 -0.59 116.57 116.95 3a3t h LYS 72 Ca 0.11 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3a3t h LYS 72 Cb 0.32 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3a3t h LYS 72 CO -0.01 0.52 0.00 -1.13 -0.57 0.00 0.00 179.45 178.26 3a3t n SER 73 N -4.28 0.51 -4.72 0.86 3.41 -0.49 -4.90 113.62 104.01 3a3t n SER 73 Ca 0.01 -1.39 -0.42 0.00 -0.26 0.00 0.00 58.87 56.81 3a3t n SER 73 Cb 0.25 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.50 2.48 -0.72 7.33 3.72 -0.23 -5.00 117.46 124.54 3a3t n PHE 74 Ca 0.17 0.51 -0.30 0.00 -0.05 0.00 0.00 57.45 57.78 3a3t n PHE 74 Cb 0.16 -2.44 0.27 0.00 -0.94 0.00 0.00 39.48 36.52 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 -2.02 -2.10 -0.04 -1.08 1.02 -1.26 -4.94 119.74 109.31 3a3t s LYS 75 Ca 0.56 0.05 0.20 0.00 0.02 0.00 0.00 55.97 56.80 3a3t s LYS 75 Cb -0.53 -1.48 0.66 0.00 -0.52 0.00 0.00 37.83 35.96 3a3t s LYS 75 CO 0.62 -4.31 1.56 -0.25 -0.92 0.00 0.00 175.35 172.04 3a3t n ASP 76 N -5.21 4.15 -0.74 2.83 8.00 -1.26 -2.99 116.55 121.33 3a3t n ASP 76 Ca 0.13 -2.17 0.07 0.00 0.71 0.00 0.00 54.79 53.53 3a3t n ASP 76 Cb 0.60 -0.52 0.21 0.00 -0.02 0.00 0.00 41.12 41.39 3a3t n ASP 76 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3a3t n ASP 77 N 1.40 3.45 -4.06 -2.24 3.85 -1.26 -5.01 116.55 112.68 3a3t n ASP 77 Ca 0.24 -2.69 -0.23 0.00 -0.71 0.00 0.00 54.79 51.41 3a3t n ASP 77 Cb 0.71 -0.43 -0.16 0.00 -1.35 0.00 0.00 41.12 39.90 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 -2.23 1.26 0.03 0.11 1.75 -1.16 0.24 119.30 119.30 3a3t s MET 78 Ca 0.34 -0.43 -0.14 0.00 -1.25 0.00 0.00 55.69 54.21 3a3t s MET 78 Cb 0.26 -1.14 0.02 0.00 2.84 0.00 0.00 34.83 36.81 3a3t s MET 78 CO 0.10 0.18 0.31 1.52 -0.65 0.00 0.00 175.02 176.48 3a3t s TYR 79 N 0.07 -0.13 -0.09 4.11 -0.85 -0.74 -4.72 117.35 115.01 3a3t s TYR 79 Ca -0.02 0.04 -0.12 0.00 -0.52 0.00 0.00 57.07 56.45 3a3t s TYR 79 Cb -0.09 0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.30 3a3t s TYR 79 CO 0.01 -0.48 0.29 -1.17 -1.52 0.00 0.00 175.55 172.67 3a3t s LEU 80 N -1.91 4.38 -0.02 -3.49 2.96 -1.26 0.11 118.68 119.44 3a3t s LEU 80 Ca -0.07 0.67 0.02 0.00 -0.22 0.00 0.00 54.13 54.53 3a3t s LEU 80 Cb -0.02 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.32 3a3t s LEU 80 CO -0.02 0.28 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.60 3a3t s ARG 81 N -0.57 0.93 0.01 1.98 3.52 0.15 -4.92 118.95 120.05 3a3t s ARG 81 Ca 0.19 -0.30 0.07 0.00 -0.13 0.00 0.00 55.73 55.56 3a3t s ARG 81 Cb -0.14 -0.87 -0.02 0.00 -1.56 0.00 0.00 34.95 32.36 3a3t s ARG 81 CO 0.07 0.12 -0.22 0.95 -0.81 0.00 0.00 175.30 175.41 3a3t s THR 82 N 0.16 1.76 -0.03 4.11 -4.23 -1.26 0.19 115.64 116.35 3a3t s THR 82 Ca -0.03 -1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 3a3t s THR 82 Cb -0.08 -1.49 0.02 0.00 1.34 0.00 0.00 72.50 72.29 3a3t s THR 82 CO 0.00 0.37 0.05 -1.61 -0.54 0.00 0.00 174.62 172.89 3a3t s GLU 83 N -0.85 0.00 0.00 3.99 0.41 0.09 -4.94 118.70 117.40 3a3t s GLU 83 Ca 0.09 0.18 -0.28 0.00 -0.41 0.00 0.00 54.97 54.54 3a3t s GLU 83 Cb -0.09 -0.17 -0.04 0.00 -1.78 0.00 0.00 34.13 32.06 3a3t s GLU 83 CO 0.01 -0.13 0.91 -1.58 -0.49 0.00 0.00 175.26 173.98 3a3t s HIS 84 N 0.81 3.67 0.62 1.61 2.46 -1.26 -1.17 115.29 122.03 3a3t s HIS 84 Ca -0.07 1.61 -0.16 0.00 0.47 0.00 0.00 55.06 56.91 3a3t s HIS 84 Cb -0.09 -3.03 -0.02 0.00 -0.13 0.00 0.00 32.58 29.30 3a3t s HIS 84 CO -0.03 0.06 1.11 0.14 -2.47 0.00 0.00 174.74 173.55 3a3t s VAL 85 N 0.76 3.27 -0.27 0.89 -7.23 -0.46 -4.62 120.40 112.75 3a3t s VAL 85 Ca 0.48 0.65 -0.01 0.00 -1.81 0.00 0.00 61.98 61.29 3a3t s VAL 85 Cb -0.21 -3.18 0.08 0.00 0.56 0.00 0.00 36.38 33.63 3a3t s VAL 85 CO 0.26 -0.31 0.05 -0.69 -0.31 0.00 0.00 175.10 174.11 3a3t s VAL 86 N -2.17 0.99 -1.49 1.32 1.01 -1.26 -4.74 120.40 114.05 3a3t s VAL 86 Ca 0.68 -1.21 0.19 0.00 0.00 0.00 0.00 61.98 61.64 3a3t s VAL 86 Cb -0.21 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 3a3t s VAL 86 CO 0.36 -0.45 0.92 0.79 0.00 0.00 0.00 175.10 176.73 3a3t n TRP 87 N 4.83 0.00 -3.49 5.22 8.01 -1.26 -4.78 117.44 125.97 3a3t n TRP 87 Ca -0.05 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.05 3a3t n TRP 87 Cb 0.44 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.72 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 -2.41 0.89 0.28 -0.99 -2.07 -1.26 -5.05 119.66 109.05 3a3t s GLN 88 Ca 0.13 -0.32 0.02 0.00 -1.82 0.00 0.00 55.36 53.37 3a3t s GLN 88 Cb 0.15 0.41 0.69 0.00 -1.09 0.00 0.00 33.01 33.17 3a3t s GLN 88 CO 0.59 -0.39 1.66 -0.22 -1.32 0.00 0.00 175.29 175.61 3a3t h LYS 89 N 2.01 0.24 0.00 9.60 3.64 -2.03 0.15 116.57 130.18 3a3t h LYS 89 Ca -0.24 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 3a3t h LYS 89 Cb 1.25 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3a3t h LYS 89 CO 0.32 0.16 -0.03 0.93 -2.27 0.00 0.00 179.45 178.55 3a3t h GLU 90 N 0.25 0.00 0.00 1.90 3.07 -1.96 -1.89 114.58 115.94 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 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3a3t h GLU 90 CO -0.62 0.03 -0.29 -0.12 -1.40 0.00 0.00 179.01 176.62 3a3t n MET 91 N -3.48 0.27 -0.34 2.33 1.56 0.53 -3.86 117.12 114.13 3a3t n MET 91 Ca -0.02 0.15 0.08 0.00 -0.27 0.00 0.00 57.70 57.63 3a3t n MET 91 Cb 0.14 -1.74 0.26 0.00 2.15 0.00 0.00 33.22 34.03 3a3t n MET 91 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3a3t h LEU 92 N 0.00 0.88 -1.25 -0.89 3.38 -1.38 -0.82 115.31 115.23 3a3t h LEU 92 Ca 0.00 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.18 3a3t h LEU 92 Cb 0.73 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 3a3t h LEU 92 CO 0.00 0.48 0.60 0.74 0.09 0.00 0.00 178.44 180.34 3a3t h THR 93 N 0.95 0.78 0.00 0.22 2.02 -1.78 -0.99 112.91 114.11 3a3t h THR 93 Ca 0.47 -0.23 -0.20 0.00 0.77 0.00 0.00 66.41 67.22 3a3t h THR 93 Cb 0.49 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3a3t h THR 93 CO -0.24 0.12 -0.89 -0.07 0.37 0.00 0.00 175.52 174.82 3a3t h LEU 94 N 0.67 0.31 -0.79 2.58 3.38 -1.40 -1.28 115.31 118.78 3a3t h LEU 94 Ca 0.49 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3a3t h LEU 94 Cb 0.84 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3a3t h LEU 94 CO -0.25 1.05 -0.11 0.00 0.09 0.00 0.00 178.44 179.23 3a3t h ALA 95 N 0.93 0.98 -0.58 1.53 0.00 -1.24 -1.73 119.26 119.15 3a3t h ALA 95 Ca -0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3a3t h ALA 95 Cb 1.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3a3t h ALA 95 CO 0.14 0.61 -0.00 -0.09 0.00 0.00 0.00 179.25 179.90 3a3t h ARG 96 N 0.73 1.02 -0.35 0.00 2.43 -0.99 -0.43 114.38 116.78 3a3t h ARG 96 Ca 0.12 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 58.99 3a3t h ARG 96 Cb 0.59 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3a3t h ARG 96 CO 0.04 1.00 0.20 1.25 -1.51 0.00 0.00 179.97 180.95 3a3t h LEU 97 N 0.93 0.33 -0.87 3.80 5.85 -1.10 -0.56 115.31 123.69 3a3t h LEU 97 Ca 0.17 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3a3t h LEU 97 Cb 0.55 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3a3t h LEU 97 CO 0.03 0.24 0.47 0.00 -0.34 0.00 0.00 178.44 178.84 3a3t h ALA 98 N 1.16 1.11 -0.65 1.25 0.00 -0.81 -0.54 119.26 120.78 3a3t h ALA 98 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3a3t h ALA 98 Cb 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3a3t h ALA 98 CO -0.07 0.63 0.16 0.00 0.00 0.00 0.00 179.25 179.97 3a3t h ALA 99 N 1.26 0.86 -0.45 0.00 0.00 -0.91 -1.44 119.26 118.58 3a3t h ALA 99 Ca 0.31 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3a3t h ALA 99 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3a3t h ALA 99 CO -0.05 0.58 0.09 0.00 0.00 0.00 0.00 179.25 179.87 3a3t h ALA 100 N 1.06 1.32 -0.29 0.00 0.00 -0.20 0.18 119.26 121.33 3a3t h ALA 100 Ca 0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a3t h ALA 100 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3a3t h ALA 100 CO 0.00 0.48 -0.14 0.28 0.00 0.00 0.00 179.25 179.88 3a3t h VAL 101 N 0.66 1.29 -0.17 0.00 2.07 -0.93 0.50 116.25 119.68 3a3t h VAL 101 Ca 0.15 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3a3t h VAL 101 Cb 0.28 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3a3t h VAL 101 CO 0.00 0.39 -0.04 0.44 0.02 0.00 0.00 177.57 178.38 3a3t h ASP 102 N 0.34 -0.16 0.18 0.57 3.32 -0.56 0.12 116.42 120.23 3a3t h ASP 102 Ca 0.06 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3a3t h ASP 102 Cb 0.65 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3a3t h ASP 102 CO 0.04 -0.06 -0.09 0.24 -1.72 0.00 0.00 179.24 177.65 3a3t h MET 103 N -0.00 -0.24 0.00 3.56 2.86 -0.62 -3.14 114.93 117.34 3a3t h MET 103 Ca 0.08 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3a3t h MET 103 Cb 0.13 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3a3t h MET 103 CO -0.18 -0.01 -1.62 0.00 1.06 0.00 0.00 176.91 176.17 3a3t n ALA 104 N -2.31 2.90 -2.76 6.32 0.00 0.16 -4.53 120.51 120.28 3a3t n ALA 104 Ca -0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 53.44 52.88 3a3t n ALA 104 Cb 0.19 -0.86 0.05 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.16 2.81 0.18 0.00 0.00 0.41 -4.85 120.51 116.90 3a3t n ALA 105 Ca -0.02 -2.85 0.09 0.00 0.00 0.00 0.00 53.44 50.66 3a3t n ALA 105 Cb 0.54 -0.83 0.62 0.00 0.00 0.00 0.00 19.45 19.78 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 2.58 2.03 0.06 0.00 0.00 -1.47 -1.63 119.26 120.84 3a3t h ALA 106 Ca -0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3a3t h ALA 106 Cb 1.29 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.08 3a3t h ALA 106 CO 0.24 -0.06 -0.52 -0.44 0.00 0.00 0.00 179.25 178.47 3a3t h ASP 107 N 0.08 0.35 -1.51 0.00 3.32 -1.89 -3.30 116.42 113.47 3a3t h ASP 107 Ca 0.06 -0.88 -0.72 0.00 0.02 0.00 0.00 57.03 55.50 3a3t h ASP 107 Cb 0.15 -0.11 -0.28 0.00 0.22 0.00 0.00 39.33 39.30 3a3t h ASP 107 CO -0.01 1.20 0.96 -1.54 -1.72 0.00 0.00 179.24 178.14 3a3t n SER 108 N -4.31 7.61 -0.05 6.45 3.41 -1.09 -4.72 113.62 120.93 3a3t n SER 108 Ca -0.12 -3.81 -0.15 0.00 -0.26 0.00 0.00 58.87 54.52 3a3t n SER 108 Cb 0.67 -1.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.53 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 2.51 0.67 -0.76 4.33 3.64 -1.39 -2.67 116.57 122.90 3a3t h LYS 109 Ca 0.59 -0.47 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3a3t h LYS 109 Cb 0.41 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3a3t h LYS 109 CO 1.51 1.09 0.50 -0.44 -2.27 0.00 0.00 179.45 179.85 3a3t h ASP 110 N 0.36 0.83 -0.06 4.20 3.32 -1.87 -0.51 116.42 122.69 3a3t h ASP 110 Ca -0.01 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3a3t h ASP 110 Cb 1.13 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3a3t h ASP 110 CO 0.11 0.59 -0.18 0.58 -1.72 0.00 0.00 179.24 178.62 3a3t h VAL 111 N 0.97 1.43 -0.58 -1.35 2.07 -1.93 -1.38 116.25 115.49 3a3t h VAL 111 Ca 0.29 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.26 3a3t h VAL 111 Cb -0.02 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3a3t h VAL 111 CO -0.08 0.43 0.37 0.00 0.02 0.00 0.00 177.57 178.32 3a3t h ALA 112 N 0.45 0.74 -0.62 1.67 0.00 -1.29 -2.57 119.26 117.64 3a3t h ALA 112 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3a3t h ALA 112 Cb 0.79 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3a3t h ALA 112 CO 0.04 0.19 0.16 -0.91 0.00 0.00 0.00 179.25 178.73 3a3t h ASN 113 N 0.78 0.90 -0.51 0.00 4.21 -1.12 -1.70 115.58 118.14 3a3t h ASN 113 Ca 0.21 -0.17 0.09 0.00 1.21 0.00 0.00 56.30 57.64 3a3t h ASN 113 Cb -0.06 -0.24 -0.07 0.00 -1.12 0.00 0.00 38.32 36.84 3a3t h ASN 113 CO -0.04 0.87 0.09 -1.28 -1.29 0.00 0.00 177.43 175.77 3a3t h SER 114 N 0.92 -0.03 0.99 5.81 0.87 -0.85 -0.15 113.55 121.11 3a3t h SER 114 Ca 0.20 0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.69 3a3t h SER 114 Cb 0.32 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3a3t h SER 114 CO -0.00 0.01 -0.79 0.45 -0.53 0.00 0.00 176.83 175.97 3a3t h HIS 115 N 0.22 0.00 -0.03 2.24 3.86 -1.19 -1.44 115.15 118.82 3a3t h HIS 115 Ca 0.26 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 3a3t h HIS 115 Cb 0.36 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 3a3t h HIS 115 CO -0.24 0.79 -0.02 0.82 0.86 0.00 0.00 177.93 180.14 3a3t h ILE 116 N 0.00 1.36 -0.35 2.45 2.04 -1.08 -1.75 117.51 120.18 3a3t h ILE 116 Ca -0.01 -1.11 0.07 0.00 1.00 0.00 0.00 64.86 64.82 3a3t h ILE 116 Cb 1.50 2.05 -0.07 0.00 -0.74 0.00 0.00 36.82 39.56 3a3t h ILE 116 CO 0.10 0.30 -0.14 -0.26 0.00 0.00 0.00 178.15 178.15 3a3t h PHE 117 N -0.38 -0.32 -0.65 1.37 0.04 -1.04 -2.28 116.94 113.69 3a3t h PHE 117 Ca 0.01 0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.89 3a3t h PHE 117 Cb 0.49 0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.77 3a3t h PHE 117 CO 0.08 -0.21 0.30 0.22 -0.60 0.00 0.00 178.31 178.11 3a3t h ASP 118 N -0.07 0.39 -0.70 2.17 3.58 -1.25 0.18 116.42 120.73 3a3t h ASP 118 Ca 0.18 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.61 3a3t h ASP 118 Cb 0.34 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 3a3t h ASP 118 CO -0.40 0.23 0.16 0.00 -2.88 0.00 0.00 179.24 176.35 3a3t h ALA 119 N 1.39 0.92 0.00 -0.78 0.00 -0.77 -0.78 119.26 119.24 3a3t h ALA 119 Ca 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a3t h ALA 119 Cb 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a3t h ALA 119 CO -0.25 0.65 -0.03 0.52 0.00 0.00 0.00 179.25 180.14 3a3t h MET 120 N 1.06 0.00 -0.25 0.00 2.86 -1.17 -0.12 114.93 117.31 3a3t h MET 120 Ca 0.22 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 3a3t h MET 120 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3a3t h MET 120 CO 0.00 0.65 -0.03 0.28 1.06 0.00 0.00 176.91 178.87 3a3t h VAL 121 N -1.00 1.27 0.01 -2.22 2.07 -0.70 -2.61 116.25 113.06 3a3t h VAL 121 Ca -0.01 -1.00 -0.38 0.00 0.82 0.00 0.00 66.70 66.13 3a3t h VAL 121 Cb 0.66 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 3a3t h VAL 121 CO -0.00 0.31 -2.12 0.59 0.02 0.00 0.00 177.57 176.37 3a3t n ASN 122 N -4.59 1.94 -0.00 0.57 5.03 -0.35 -4.49 115.26 113.37 3a3t n ASN 122 Ca -0.04 0.31 0.14 0.00 0.87 0.00 0.00 54.58 55.86 3a3t n ASN 122 Cb 0.28 -0.83 0.59 0.00 -1.02 0.00 0.00 39.78 38.80 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 -4.15 0.03 -2.53 3.52 -0.06 -0.88 -4.93 117.38 108.37 3a3t n GLN 123 Ca -0.46 -0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 54.33 3a3t n GLN 123 Cb 0.85 -1.50 -0.00 0.00 -4.06 0.00 0.00 30.24 25.53 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 -1.48 -2.37 -2.51 3.69 4.76 -0.59 -4.94 118.16 114.72 3a3t n LYS 124 Ca 0.07 0.97 -0.42 0.00 -2.87 0.00 0.00 58.31 56.06 3a3t n LYS 124 Cb 0.33 -5.67 -0.03 0.00 -1.84 0.00 0.00 35.03 27.82 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 -3.05 4.26 -1.39 -0.18 1.01 -0.16 -4.94 121.20 116.76 3a3t s ILE 125 Ca 0.06 1.63 -0.15 0.00 0.00 0.00 0.00 60.65 62.19 3a3t s ILE 125 Cb -0.03 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.43 3a3t s ILE 125 CO 0.08 0.13 2.12 1.17 0.00 0.00 0.00 174.94 178.44 3a3t n LYS 126 N 3.87 2.81 0.10 2.79 4.81 -1.26 -4.43 118.16 126.86 3a3t n LYS 126 Ca 0.08 -2.68 0.10 0.00 -0.87 0.00 0.00 58.31 54.94 3a3t n LYS 126 Cb 0.48 -3.31 0.44 0.00 0.02 0.00 0.00 35.03 32.66 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 6.72 0.47 0.12 3.14 4.77 -1.26 -1.62 117.00 129.35 3a3t n LEU 127 Ca 0.51 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 57.26 3a3t n LEU 127 Cb 0.40 -0.61 0.45 0.00 -2.33 0.00 0.00 43.42 41.34 3a3t n LEU 127 CO 0.88 -0.58 0.87 0.00 -1.33 0.00 0.00 177.39 177.23 3a3t n GLN 128 N -2.05 0.23 -2.73 3.23 0.00 -1.26 -4.36 117.38 110.44 3a3t n GLN 128 Ca 0.01 0.33 -0.43 0.00 0.00 0.00 0.00 57.00 56.91 3a3t n GLN 128 Cb 0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 30.24 28.52 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 -4.42 6.70 0.29 2.61 3.84 -0.64 -4.68 114.94 118.64 3a3t s ASN 129 Ca 0.07 0.59 0.01 0.00 0.21 0.00 0.00 52.86 53.75 3a3t s ASN 129 Cb 0.11 -2.50 0.55 0.00 -0.55 0.00 0.00 41.25 38.86 3a3t s ASN 129 CO 0.50 -0.98 1.86 -0.65 -2.79 0.00 0.00 177.10 175.04 3a3t h PRO 130 N 8.65 0.98 -0.26 0.43 0.11 -1.87 0.19 132.00 140.22 3a3t h PRO 130 Ca -0.23 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3a3t h PRO 130 Cb 1.07 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3a3t h PRO 130 CO 1.03 0.65 0.06 1.49 -0.21 0.00 0.00 178.00 181.02 3a3t h GLU 131 N 1.01 0.43 -0.10 1.05 4.81 -1.94 0.61 114.58 120.45 3a3t h GLU 131 Ca 0.46 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3a3t h GLU 131 Cb 0.40 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3a3t h GLU 131 CO -0.22 0.53 0.05 0.28 -0.73 0.00 0.00 179.01 178.92 3a3t h VAL 132 N 0.25 1.11 -0.11 0.32 2.07 -1.61 -2.58 116.25 115.70 3a3t h VAL 132 Ca 0.08 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3a3t h VAL 132 Cb 0.30 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3a3t h VAL 132 CO 0.00 0.09 -0.13 0.25 0.02 0.00 0.00 177.57 177.81 3a3t h LEU 133 N 0.05 -0.40 -0.62 2.57 5.85 -0.54 -1.28 115.31 120.93 3a3t h LEU 133 Ca 0.04 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3a3t h LEU 133 Cb 0.11 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3a3t h LEU 133 CO -0.00 -0.17 0.39 0.11 -0.34 0.00 0.00 178.44 178.42 3a3t h LYS 134 N -0.17 0.75 -0.58 1.25 1.57 -0.81 0.79 116.57 119.38 3a3t h LYS 134 Ca 0.08 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3a3t h LYS 134 Cb 0.29 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3a3t h LYS 134 CO -0.21 0.50 0.03 -0.22 -0.57 0.00 0.00 179.45 178.98 3a3t h LYS 135 N 0.78 1.00 -0.50 3.15 3.64 -1.35 -2.72 116.57 120.57 3a3t h LYS 135 Ca 0.24 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3a3t h LYS 135 Cb -0.02 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3a3t h LYS 135 CO -0.08 0.98 0.22 2.35 -2.27 0.00 0.00 179.45 180.64 3a3t h TRP 136 N 0.89 0.73 -0.93 1.91 7.01 -0.51 -2.81 115.95 122.24 3a3t h TRP 136 Ca 0.17 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.12 3a3t h TRP 136 Cb 0.50 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 27.29 3a3t h TRP 136 CO 0.04 0.59 0.58 -0.07 -2.79 0.00 0.00 178.44 176.79 3a3t h LEU 137 N 0.66 1.10 -2.19 0.65 3.38 -0.81 -2.15 115.31 115.95 3a3t h LEU 137 Ca 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3a3t h LEU 137 Cb 0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3a3t h LEU 137 CO -0.02 0.82 -0.03 1.23 0.09 0.00 0.00 178.44 180.53 3a3t h GLY 138 N 1.27 0.00 -0.20 0.83 0.00 -1.23 -2.29 103.07 101.45 3a3t h GLY 138 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3a3t h GLY 138 CO -0.07 0.00 -0.24 1.18 0.00 0.00 0.00 176.54 177.41 3a3t n GLU 139 N -3.26 1.11 -2.78 4.80 1.02 -0.82 -4.81 120.64 115.90 3a3t n GLU 139 Ca -0.02 -0.73 -0.41 0.00 -0.02 0.00 0.00 57.16 55.99 3a3t n GLU 139 Cb 0.19 -1.48 -0.04 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 -2.39 4.62 -0.00 3.49 -1.52 -0.86 -4.92 119.66 118.07 3a3t s GLN 140 Ca 0.26 1.36 0.00 0.00 -1.95 0.00 0.00 55.36 55.02 3a3t s GLN 140 Cb 0.19 -3.40 -0.00 0.00 -0.22 0.00 0.00 33.01 29.58 3a3t s GLN 140 CO 0.49 0.14 -0.00 -2.37 -0.25 0.00 0.00 175.29 173.30 3a3t n THR 141 N 3.16 0.01 -0.07 -0.19 5.66 -1.26 -3.62 114.28 117.97 3a3t n THR 141 Ca 0.02 -0.01 0.22 0.00 -3.05 0.00 0.00 64.05 61.24 3a3t n THR 141 Cb 0.50 -0.88 0.68 0.00 -1.55 0.00 0.00 70.33 69.08 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 0.01 2.55 -2.48 1.79 0.00 -2.00 -3.42 119.26 115.72 3a3t h ALA 142 Ca -0.01 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 3a3t h ALA 142 Cb 1.01 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 3a3t h ALA 142 CO 0.00 -0.74 -0.60 -0.59 0.00 0.00 0.00 179.25 177.32 3a3t s PHE 143 N -5.05 1.39 -1.14 0.00 -0.71 -1.26 -4.93 117.98 106.29 3a3t s PHE 143 Ca -0.05 -1.32 -0.21 0.00 -1.04 0.00 0.00 56.93 54.31 3a3t s PHE 143 Cb 0.20 -0.73 -0.06 0.00 -1.21 0.00 0.00 43.02 41.22 3a3t s PHE 143 CO 0.75 -0.53 1.92 -3.47 -1.34 0.00 0.00 175.22 172.55 3a3t n ASP 144 N -0.51 3.43 -0.34 1.98 -0.08 -1.26 -4.74 116.55 115.03 3a3t n ASP 144 Ca 0.01 -2.76 0.02 0.00 -1.51 0.00 0.00 54.79 50.56 3a3t n ASP 144 Cb 0.66 -1.58 0.19 0.00 2.34 0.00 0.00 41.12 42.73 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 14.90 1.40 1.91 0.27 0.00 -1.76 -2.25 103.07 117.55 3a3t h GLY 145 Ca 0.35 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 3a3t h GLY 145 CO 1.52 0.36 -0.60 0.50 0.00 0.00 0.00 176.54 178.32 3a3t h LYS 146 N 1.15 0.09 -0.15 4.80 1.57 -1.83 -1.18 116.57 121.02 3a3t h LYS 146 Ca 0.40 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.90 3a3t h LYS 146 Cb 0.11 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.43 3a3t h LYS 146 CO -0.14 0.67 -0.74 -0.22 -0.57 0.00 0.00 179.45 178.45 3a3t h LYS 147 N 0.07 0.71 -0.31 3.15 3.64 -1.81 -1.76 116.57 120.25 3a3t h LYS 147 Ca -0.01 -0.56 -0.01 0.00 -1.27 0.00 0.00 60.65 58.80 3a3t h LYS 147 Cb 1.08 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3a3t h LYS 147 CO 0.08 1.17 0.15 0.28 -2.27 0.00 0.00 179.45 178.87 3a3t h VAL 148 N 0.49 1.16 -0.89 2.00 2.07 -1.32 -1.99 116.25 117.77 3a3t h VAL 148 Ca -0.04 -0.44 0.12 0.00 0.82 0.00 0.00 66.70 67.15 3a3t h VAL 148 Cb 1.35 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 3a3t h VAL 148 CO 0.15 0.16 0.52 0.25 0.02 0.00 0.00 177.57 178.67 3a3t h LEU 149 N 0.37 0.73 -0.37 2.57 5.85 -1.13 0.42 115.31 123.75 3a3t h LEU 149 Ca 0.11 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3a3t h LEU 149 Cb 0.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3a3t h LEU 149 CO -0.01 0.38 0.18 0.00 -0.34 0.00 0.00 178.44 178.65 3a3t h ALA 150 N 1.51 0.48 -0.77 1.25 0.00 -0.99 -0.05 119.26 120.69 3a3t h ALA 150 Ca 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3a3t h ALA 150 Cb 0.48 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3a3t h ALA 150 CO -0.28 0.04 0.41 0.00 0.00 0.00 0.00 179.25 179.42 3a3t h ALA 151 N 1.03 0.99 -0.37 0.00 0.00 -0.54 -1.71 119.26 118.66 3a3t h ALA 151 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a3t h ALA 151 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3a3t h ALA 151 CO -0.02 0.51 0.24 -0.92 0.00 0.00 0.00 179.25 179.07 3a3t h TYR 152 N 1.07 0.47 0.00 0.00 3.20 0.39 -2.19 116.97 119.91 3a3t h TYR 152 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3a3t h TYR 152 Cb 0.05 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3a3t h TYR 152 CO 0.00 0.30 -0.45 0.93 -1.64 0.00 0.00 178.16 177.30 3a3t h GLU 153 N 0.51 0.00 -7.02 1.82 5.08 -0.45 -3.45 114.58 111.07 3a3t h GLU 153 Ca 0.14 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.99 3a3t h GLU 153 Cb -0.05 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.26 3a3t h GLU 153 CO -0.03 0.00 0.47 -1.54 -1.00 0.00 0.00 179.01 176.91 3a3t s SER 154 N -5.70 6.11 0.48 1.42 1.04 -0.70 -4.93 113.70 111.43 3a3t s SER 154 Ca 0.04 2.27 0.22 0.00 0.48 0.00 0.00 55.95 58.96 3a3t s SER 154 Cb 0.08 -2.60 1.22 0.00 0.10 0.00 0.00 66.02 64.82 3a3t s SER 154 CO 0.72 -0.95 2.02 -0.65 0.98 0.00 0.00 173.24 175.35 3a3t h PRO 155 N 1.91 0.00 -0.59 4.02 0.11 -1.87 -2.97 132.00 132.61 3a3t h PRO 155 Ca -0.49 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.67 3a3t h PRO 155 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3a3t h PRO 155 CO 0.60 0.17 0.39 1.49 -0.21 0.00 0.00 178.00 180.44 3a3t h GLU 156 N 0.00 0.56 -0.65 1.05 4.81 -1.92 -0.57 114.58 117.87 3a3t h GLU 156 Ca -0.00 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3a3t h GLU 156 Cb 0.37 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3a3t h GLU 156 CO 0.02 0.37 0.22 0.66 -0.73 0.00 0.00 179.01 179.56 3a3t h SER 157 N 0.58 0.90 0.55 1.04 4.64 -1.70 -1.69 113.55 117.87 3a3t h SER 157 Ca 0.25 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 61.26 3a3t h SER 157 Cb 0.26 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3a3t h SER 157 CO -0.07 0.83 -0.77 -0.61 -0.87 0.00 0.00 176.83 175.34 3a3t h GLN 158 N 0.95 0.17 -0.67 4.77 5.75 -1.31 -1.46 115.11 123.31 3a3t h GLN 158 Ca 0.22 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3a3t h GLN 158 Cb 0.24 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 3a3t h GLN 158 CO -0.01 0.85 0.44 0.00 -2.65 0.00 0.00 178.83 177.46 3a3t h ALA 159 N 1.10 0.86 -0.53 3.38 0.00 -0.77 0.13 119.26 123.43 3a3t h ALA 159 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3a3t h ALA 159 Cb 1.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3a3t h ALA 159 CO 0.11 0.29 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 3a3t h ARG 160 N 0.91 0.96 -0.89 0.00 3.08 -1.16 -2.57 114.38 114.72 3a3t h ARG 160 Ca 0.25 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 60.01 3a3t h ARG 160 Cb -0.09 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 3a3t h ARG 160 CO -0.05 0.98 0.57 0.00 -1.07 0.00 0.00 179.97 180.40 3a3t h ALA 161 N 0.94 1.17 -0.85 0.04 0.00 -0.85 -0.45 119.26 119.27 3a3t h ALA 161 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3a3t h ALA 161 Cb 0.58 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3a3t h ALA 161 CO 0.03 0.41 0.50 -0.44 0.00 0.00 0.00 179.25 179.75 3a3t h ASP 162 N 1.10 1.04 -0.44 0.00 3.32 -0.72 -1.03 116.42 119.69 3a3t h ASP 162 Ca 0.36 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 3a3t h ASP 162 Cb 0.02 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3a3t h ASP 162 CO -0.12 0.81 0.03 0.50 -1.72 0.00 0.00 179.24 178.74 3a3t h LYS 163 N 1.17 0.82 -0.72 3.56 1.63 -0.99 -1.69 116.57 120.35 3a3t h LYS 163 Ca 0.30 -0.21 -0.07 0.00 -0.85 0.00 0.00 60.65 59.82 3a3t h LYS 163 Cb -0.02 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 3a3t h LYS 163 CO -0.05 0.81 0.19 0.52 -3.45 0.00 0.00 179.45 177.46 3a3t h MET 164 N 0.78 1.15 -0.74 1.90 2.86 -0.16 -0.48 114.93 120.24 3a3t h MET 164 Ca 0.16 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3a3t h MET 164 Cb 0.42 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3a3t h MET 164 CO 0.01 1.00 0.33 0.37 1.06 0.00 0.00 176.91 179.69 3a3t h GLN 165 N 1.09 1.09 -0.61 1.72 4.15 -0.96 -0.93 115.11 120.68 3a3t h GLN 165 Ca 0.23 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 3a3t h GLN 165 Cb 0.36 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 3a3t h GLN 165 CO 0.00 0.87 0.24 1.49 -1.93 0.00 0.00 178.83 179.50 3a3t h GLU 166 N 1.06 0.91 -0.46 1.69 4.22 -0.71 -1.01 114.58 120.27 3a3t h GLU 166 Ca 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 59.36 59.51 3a3t h GLU 166 Cb 0.16 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3a3t h GLU 166 CO -0.03 0.78 0.23 -0.07 -2.18 0.00 0.00 179.01 177.74 3a3t h LEU 167 N 0.85 0.58 -0.36 1.64 3.38 -0.80 0.30 115.31 120.90 3a3t h LEU 167 Ca 0.20 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3a3t h LEU 167 Cb 0.21 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3a3t h LEU 167 CO -0.02 0.53 0.12 0.74 0.09 0.00 0.00 178.44 179.90 3a3t h THR 168 N 0.60 0.89 0.09 0.22 2.02 -0.94 -1.77 112.91 114.01 3a3t h THR 168 Ca 0.16 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3a3t h THR 168 Cb 0.09 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3a3t h THR 168 CO -0.02 0.05 -0.04 -0.33 0.37 0.00 0.00 175.52 175.54 3a3t h GLU 169 N 0.26 -0.12 -0.92 6.66 5.08 -0.95 -1.03 114.58 123.56 3a3t h GLU 169 Ca 0.16 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3a3t h GLU 169 Cb 0.15 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3a3t h GLU 169 CO -0.17 0.38 0.60 1.15 -1.00 0.00 0.00 179.01 179.97 3a3t h THR 170 N -0.73 1.17 -0.67 1.13 2.02 -0.41 -2.43 112.91 112.99 3a3t h THR 170 Ca -0.01 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.77 3a3t h THR 170 Cb 0.56 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3a3t h THR 170 CO 0.02 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.61 3a3t n PHE 171 N -4.49 1.28 -3.85 3.16 3.72 -0.67 -4.96 117.46 111.65 3a3t n PHE 171 Ca 0.12 -0.57 -0.27 0.00 -0.05 0.00 0.00 57.45 56.68 3a3t n PHE 171 Cb 0.08 -0.15 0.02 0.00 -0.94 0.00 0.00 39.48 38.49 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 1.29 -4.92 -2.40 -1.08 6.02 -0.71 -4.86 117.38 110.70 3a3t n GLN 172 Ca 0.25 0.57 -0.41 0.00 -0.01 0.00 0.00 57.00 57.41 3a3t n GLN 172 Cb 0.79 -5.24 -0.03 0.00 1.02 0.00 0.00 30.24 26.78 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 -3.52 3.69 -1.57 5.09 -1.09 -0.47 -4.83 121.20 118.49 3a3t s ILE 173 Ca 0.34 0.48 0.15 0.00 -2.23 0.00 0.00 60.65 59.39 3a3t s ILE 173 Cb -0.17 -4.57 0.04 0.00 -1.58 0.00 0.00 42.46 36.18 3a3t s ILE 173 CO 0.83 -1.43 0.87 -0.90 -1.23 0.00 0.00 174.94 173.09 3a3t n ASP 174 N 10.03 1.82 -4.10 3.58 5.68 -1.26 -4.88 116.55 127.42 3a3t n ASP 174 Ca 0.10 -1.41 -0.08 0.00 -0.50 0.00 0.00 54.79 52.90 3a3t n ASP 174 Cb 0.50 0.29 -0.10 0.00 -1.14 0.00 0.00 41.12 40.66 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 -1.58 0.51 0.01 6.12 0.00 -1.26 -5.16 107.32 105.95 3a3t s GLY 175 Ca 0.14 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3a3t s GLY 175 CO 0.30 -1.29 -0.08 -0.51 0.00 0.00 0.00 173.10 171.52 3a3t s THR 176 N -3.65 0.61 0.50 0.90 -4.23 -1.26 -3.90 115.64 104.62 3a3t s THR 176 Ca 0.06 -0.56 -0.19 0.00 -1.18 0.00 0.00 61.69 59.83 3a3t s THR 176 Cb 0.06 -0.56 -0.08 0.00 1.34 0.00 0.00 72.50 73.26 3a3t s THR 176 CO -0.08 0.02 1.01 -2.84 -0.54 0.00 0.00 174.62 172.19 3a3t s PRO 177 N -0.60 3.82 -0.15 3.99 0.02 -1.26 -4.83 135.00 135.98 3a3t s PRO 177 Ca -0.00 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.22 3a3t s PRO 177 Cb -0.05 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 32.39 3a3t s PRO 177 CO 0.00 -0.40 -0.11 0.99 -0.33 0.00 0.00 177.00 177.16 3a3t s THR 178 N -2.25 1.42 -0.22 0.99 2.01 -0.62 -4.99 115.64 111.98 3a3t s THR 178 Ca 0.64 -0.64 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 3a3t s THR 178 Cb -0.13 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 3a3t s THR 178 CO 0.24 0.34 0.02 -0.69 -0.69 0.00 0.00 174.62 173.84 3a3t s VAL 179 N 1.53 4.00 -0.06 3.82 1.01 -1.26 -0.28 120.40 129.16 3a3t s VAL 179 Ca 0.03 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3a3t s VAL 179 Cb -0.14 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3a3t s VAL 179 CO -0.09 0.40 -0.14 -0.63 0.00 0.00 0.00 175.10 174.64 3a3t s ILE 180 N 1.21 3.07 -0.10 2.22 -1.09 0.16 -0.84 121.20 125.83 3a3t s ILE 180 Ca 0.03 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 3a3t s ILE 180 Cb -0.15 -2.21 -0.01 0.00 -1.58 0.00 0.00 42.46 38.51 3a3t s ILE 180 CO 0.02 0.58 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.43 3a3t s VAL 181 N -0.59 2.50 -1.54 2.92 1.01 0.20 0.36 120.40 125.25 3a3t s VAL 181 Ca 0.09 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.19 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 0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3a3t n GLY 182 N 3.39 1.41 3.27 4.51 0.00 0.60 -2.14 105.19 116.23 3a3t n GLY 182 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.25 0.52 0.00 -0.02 0.00 -1.26 -4.77 105.19 99.40 3a3t n GLY 183 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.88 3.43 -4.44 1.61 5.02 -0.91 -0.91 118.16 120.09 3a3t n LYS 184 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3a3t n LYS 184 Cb 0.04 -1.00 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.00 2.72 -0.18 2.13 2.02 -0.96 -1.16 117.35 119.91 3a3t s TYR 185 Ca -0.00 -1.46 -0.22 0.00 -0.37 0.00 0.00 57.07 55.02 3a3t s TYR 185 Cb 0.00 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.67 3a3t s TYR 185 CO 0.00 -0.69 0.67 0.21 -1.57 0.00 0.00 175.55 174.17 3a3t s LYS 186 N 1.01 4.24 0.04 -0.62 2.20 0.80 -0.63 119.74 126.79 3a3t s LYS 186 Ca -0.02 0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 55.99 3a3t s LYS 186 Cb -0.14 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 3a3t s LYS 186 CO -0.06 -0.23 1.28 0.08 -0.36 0.00 0.00 175.35 176.06 3a3t s VAL 187 N 1.85 3.85 -0.36 4.02 1.01 -0.02 -0.32 120.40 130.43 3a3t s VAL 187 Ca 0.31 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.41 3a3t s VAL 187 Cb -0.16 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 3a3t s VAL 187 CO 0.11 0.06 0.43 -1.61 0.00 0.00 0.00 175.10 174.09 3a3t s GLU 188 N 1.56 3.51 -0.16 2.72 0.41 -0.02 -4.63 118.70 122.08 3a3t s GLU 188 Ca 0.61 -0.38 -0.20 0.00 -0.41 0.00 0.00 54.97 54.58 3a3t s GLU 188 Cb -0.31 -3.83 -0.03 0.00 -1.78 0.00 0.00 34.13 28.18 3a3t s GLU 188 CO 0.28 -0.62 0.59 -0.06 -0.49 0.00 0.00 175.26 174.95 3a3t s PHE 189 N 2.18 3.44 -0.02 1.61 0.08 -1.26 -4.71 117.98 119.30 3a3t s PHE 189 Ca 0.14 0.96 -0.01 0.00 0.12 0.00 0.00 56.93 58.14 3a3t s PHE 189 Cb -0.16 -2.73 -0.00 0.00 -0.57 0.00 0.00 43.02 39.56 3a3t s PHE 189 CO 0.13 -0.04 -0.02 0.00 -0.10 0.00 0.00 175.22 175.19 3a3t h ALA 190 N 7.18 0.00 -3.22 5.36 0.00 -1.93 -3.49 119.26 123.15 3a3t h ALA 190 Ca -0.36 -0.16 -0.51 0.00 0.00 0.00 0.00 54.91 53.88 3a3t h ALA 190 Cb 1.16 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 3a3t h ALA 190 CO 0.76 0.04 -0.79 0.16 0.00 0.00 0.00 179.25 179.42 3a3t s ASP 191 N -3.64 2.45 0.31 0.00 -4.77 -1.26 -5.04 116.67 104.71 3a3t s ASP 191 Ca -0.01 -0.77 0.05 0.00 -3.30 0.00 0.00 52.55 48.52 3a3t s ASP 191 Cb 0.00 -0.13 0.70 0.00 -1.09 0.00 0.00 42.92 42.41 3a3t s ASP 191 CO 0.02 -0.02 1.81 -0.50 0.70 0.00 0.00 175.17 177.18 3a3t h TRP 192 N 3.67 1.04 -0.10 2.11 -0.00 -1.99 -0.70 115.95 119.98 3a3t h TRP 192 Ca -0.43 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.46 3a3t h TRP 192 Cb 1.19 -0.32 -0.00 0.00 -0.00 0.00 0.00 29.16 30.03 3a3t h TRP 192 CO 0.65 0.32 -0.07 0.93 -0.00 0.00 0.00 178.44 180.26 3a3t h GLU 193 N 0.82 0.22 0.00 0.49 3.07 -1.98 -2.42 114.58 114.78 3a3t h GLU 193 Ca 0.53 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3a3t h GLU 193 Cb 0.75 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3a3t h GLU 193 CO -0.31 0.61 -0.00 0.66 -1.40 0.00 0.00 179.01 178.57 3a3t h SER 194 N -0.17 0.00 -0.55 1.42 4.64 -1.88 -2.73 113.55 114.28 3a3t h SER 194 Ca 0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 3a3t h SER 194 Cb 0.56 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 3a3t h SER 194 CO 0.02 0.00 0.20 1.23 -0.87 0.00 0.00 176.83 177.41 3a3t h GLY 195 N 1.21 0.94 1.84 -0.77 0.00 -0.62 -2.81 103.07 102.86 3a3t h GLY 195 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 3a3t h GLY 195 CO 0.00 0.48 -0.17 -0.33 0.00 0.00 0.00 176.54 176.52 3a3t h MET 196 N 0.86 0.20 -0.63 4.80 2.86 -1.43 -0.93 114.93 120.66 3a3t h MET 196 Ca 0.20 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3a3t h MET 196 Cb 0.23 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3a3t h MET 196 CO -0.01 0.37 0.37 -0.91 1.06 0.00 0.00 176.91 177.79 3a3t h ASN 197 N 0.18 0.77 -0.63 1.22 4.21 -1.63 -0.22 115.58 119.48 3a3t h ASN 197 Ca 0.04 -0.08 -0.05 0.00 1.21 0.00 0.00 56.30 57.42 3a3t h ASN 197 Cb 0.42 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.40 3a3t h ASN 197 CO 0.03 0.62 0.20 0.74 -1.29 0.00 0.00 177.43 177.73 3a3t h THR 198 N 0.86 1.25 -0.73 2.81 2.02 -1.21 -0.32 112.91 117.59 3a3t h THR 198 Ca 0.23 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.58 3a3t h THR 198 Cb 0.01 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 3a3t h THR 198 CO -0.04 0.32 0.47 0.40 0.37 0.00 0.00 175.52 177.04 3a3t h ILE 199 N 0.91 1.15 0.08 3.11 2.04 -0.90 -0.02 117.51 123.86 3a3t h ILE 199 Ca 0.20 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3a3t h ILE 199 Cb 0.29 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3a3t h ILE 199 CO -0.01 0.17 -0.04 0.44 0.00 0.00 0.00 178.15 178.72 3a3t h ASP 200 N 0.94 -0.09 -0.67 1.72 3.32 -0.53 -0.11 116.42 121.00 3a3t h ASP 200 Ca 0.28 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.28 3a3t h ASP 200 Cb -0.05 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3a3t h ASP 200 CO -0.08 -0.00 0.44 -0.07 -1.72 0.00 0.00 179.24 177.81 3a3t h LEU 201 N -0.16 0.76 -0.67 1.55 3.38 -0.87 -1.97 115.31 117.33 3a3t h LEU 201 Ca -0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3a3t h LEU 201 Cb 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3a3t h LEU 201 CO 0.02 0.55 0.17 -0.07 0.09 0.00 0.00 178.44 179.20 3a3t h LEU 202 N 0.90 1.01 -0.30 1.67 3.38 -0.87 -0.22 115.31 120.87 3a3t h LEU 202 Ca 0.25 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3a3t h LEU 202 Cb -0.09 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.34 3a3t h LEU 202 CO -0.06 0.98 -0.02 0.00 0.09 0.00 0.00 178.44 179.43 3a3t h ALA 203 N 1.07 0.26 -0.85 1.53 0.00 -0.66 0.22 119.26 120.83 3a3t h ALA 203 Ca 0.21 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3a3t h ALA 203 Cb 0.36 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3a3t h ALA 203 CO 0.00 -0.42 0.55 -0.44 0.00 0.00 0.00 179.25 178.94 3a3t h ASP 204 N 0.07 0.92 -0.73 0.00 3.32 -0.96 0.15 116.42 119.18 3a3t h ASP 204 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3a3t h ASP 204 Cb 0.20 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3a3t h ASP 204 CO -0.26 0.65 0.47 0.50 -1.72 0.00 0.00 179.24 178.88 3a3t h LYS 205 N 1.09 0.98 -0.40 3.56 3.64 0.07 0.78 116.57 126.29 3a3t h LYS 205 Ca 0.33 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 3a3t h LYS 205 Cb -0.04 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3a3t h LYS 205 CO -0.10 0.67 -0.21 0.28 -2.27 0.00 0.00 179.45 177.81 3a3t h VAL 206 N 1.00 1.28 0.32 2.00 2.07 -0.01 -1.88 116.25 121.03 3a3t h VAL 206 Ca 0.27 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3a3t h VAL 206 Cb -0.08 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3a3t h VAL 206 CO -0.05 0.46 -0.22 0.03 0.02 0.00 0.00 177.57 177.80 3a3t h ARG 207 N 0.66 -0.51 -0.63 1.57 3.08 -0.26 -0.33 114.38 117.97 3a3t h ARG 207 Ca 0.09 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.29 3a3t h ARG 207 Cb 0.78 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.85 3a3t h ARG 207 CO 0.06 -0.34 0.14 0.93 -1.07 0.00 0.00 179.97 179.69 3a3t h GLU 208 N -0.53 0.26 -0.34 0.04 4.39 -0.88 -2.21 114.58 115.31 3a3t h GLU 208 Ca -0.03 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.68 3a3t h GLU 208 Cb 0.45 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3a3t h GLU 208 CO 0.02 0.17 0.15 0.93 -1.16 0.00 0.00 179.01 179.12 3a3t h GLU 209 N 0.27 0.31 -0.41 2.33 5.08 -0.90 -3.09 114.58 118.17 3a3t h GLU 209 Ca 0.33 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 3a3t h GLU 209 Cb 0.50 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3a3t h GLU 209 CO -0.42 0.21 0.18 1.96 -1.00 0.00 0.00 179.01 179.94 3a3t h GLN 210 N 0.32 0.36 -4.49 2.33 4.20 -0.46 -3.17 115.11 114.21 3a3t h GLN 210 Ca 0.14 -0.02 -0.59 0.00 0.06 0.00 0.00 58.65 58.24 3a3t h GLN 210 Cb 0.07 -0.08 0.07 0.00 0.30 0.00 0.00 27.48 27.84 3a3t h GLN 210 CO -0.11 0.24 2.08 1.63 -0.67 0.00 0.00 178.83 181.99 3a3t n LYS 211 N -4.95 1.16 0.00 1.46 5.02 -1.02 -5.12 118.16 114.71 3a3t n LYS 211 Ca 0.02 -1.58 0.00 0.00 -2.02 0.00 0.00 58.31 54.74 3a3t n LYS 211 Cb 0.12 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.38 3a3t n LYS 211 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88