#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgt n ASP 7 N 0.00 3.48 -4.12 1.96 8.00 -1.26 -4.84 116.55 119.78 1vgt n ASP 7 Ca 0.00 1.21 -0.22 0.00 0.71 0.00 0.00 54.79 56.50 1vgt n ASP 7 Cb 0.00 -1.58 -0.15 0.00 -0.02 0.00 0.00 41.12 39.38 1vgt n ASP 7 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vgt s VAL 8 N -1.00 1.11 -0.06 2.53 1.01 -0.08 -4.07 120.40 119.84 1vgt s VAL 8 Ca 0.55 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1vgt s VAL 8 Cb -0.51 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 1vgt s VAL 8 CO 0.62 0.24 -0.17 0.00 0.00 0.00 0.00 175.10 175.79 1vgt s ALA 10 N -0.39 3.62 -0.08 0.00 0.00 -0.37 -1.41 121.76 123.14 1vgt s ALA 10 Ca 0.04 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1vgt s ALA 10 Cb -0.12 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1vgt s ALA 10 CO 0.02 0.61 -0.13 0.08 0.00 0.00 0.00 175.76 176.34 1vgt s VAL 11 N -1.60 1.27 -0.30 0.00 1.01 0.11 -0.70 120.40 120.20 1vgt s VAL 11 Ca 0.31 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1vgt s VAL 11 Cb -0.11 -1.17 0.07 0.00 0.00 0.00 0.00 36.38 35.17 1vgt s VAL 11 CO 0.24 0.39 -0.02 -0.69 0.00 0.00 0.00 175.10 175.02 1vgt s VAL 12 N 0.79 2.54 -0.04 2.92 1.01 0.14 -1.27 120.40 126.49 1vgt s VAL 12 Ca -0.12 -1.74 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 1vgt s VAL 12 Cb -0.16 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1vgt s VAL 12 CO 0.02 -0.22 1.44 -2.84 0.00 0.00 0.00 175.10 173.50 1vgt s PRO 13 N 1.11 4.25 -0.20 2.72 0.02 -1.26 -1.70 135.00 139.94 1vgt s PRO 13 Ca -0.02 1.98 0.20 0.00 0.02 0.00 0.00 61.00 63.17 1vgt s PRO 13 Cb -0.20 -3.70 0.48 0.00 0.02 0.00 0.00 34.50 31.09 1vgt s PRO 13 CO -0.04 -0.67 1.15 0.00 -0.33 0.00 0.00 177.00 177.11 1vgt n ALA 14 N 5.99 3.05 -1.02 -1.55 0.00 0.52 -4.10 120.51 123.41 1vgt n ALA 14 Ca 0.14 -2.89 -0.28 0.00 0.00 0.00 0.00 53.44 50.41 1vgt n ALA 14 Cb 0.44 -0.71 0.20 0.00 0.00 0.00 0.00 19.45 19.38 1vgt n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vgt s ALA 15 N -2.88 0.56 0.00 0.00 0.00 -1.18 -4.23 121.76 114.03 1vgt s ALA 15 Ca 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1vgt s ALA 15 Cb 0.36 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1vgt s ALA 15 CO -0.06 -3.12 0.00 0.41 0.00 0.00 0.00 175.76 172.99 1vgt n GLY 16 N -0.64 2.07 1.06 0.00 0.00 -1.26 -4.86 105.19 101.56 1vgt n GLY 16 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1vgt n GLY 16 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vgt n PHE 17 N -0.09 0.89 0.54 1.61 3.01 -1.26 -4.88 117.46 117.28 1vgt n PHE 17 Ca 0.00 -1.58 0.06 0.00 1.01 0.00 0.00 57.45 56.94 1vgt n PHE 17 Cb 0.00 -0.45 0.03 0.00 -0.01 0.00 0.00 39.48 39.05 1vgt n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1vgt n GLY 18 N -1.12 -0.14 0.00 1.37 0.00 -1.26 -3.59 105.19 100.45 1vgt n GLY 18 Ca 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1vgt n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vgt n PRO 26 N 0.32 0.00 -0.89 1.61 -0.02 -1.26 -4.84 135.00 129.92 1vgt n PRO 26 Ca 0.06 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.49 1vgt n PRO 26 Cb 0.29 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.03 1vgt n PRO 26 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vgt n LYS 27 N 1.51 2.89 0.27 -0.52 4.01 -1.26 -4.60 118.16 120.45 1vgt n LYS 27 Ca 0.00 -3.06 0.15 0.00 -0.51 0.00 0.00 58.31 54.89 1vgt n LYS 27 Cb 0.00 -2.04 0.72 0.00 -0.51 0.00 0.00 35.03 33.20 1vgt n LYS 27 CO 0.00 0.00 0.00 -0.56 -1.11 0.00 0.00 177.40 175.73 1vgt h GLN 28 N 1.84 0.00 -0.35 1.97 3.07 -1.89 -2.53 115.11 117.22 1vgt h GLN 28 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.00 1vgt h GLN 28 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.63 1vgt h GLN 28 CO 0.60 0.09 0.00 0.66 0.09 0.00 0.00 178.83 180.28 1vgt n TYR 29 N -3.35 0.45 -2.27 0.06 0.53 -1.26 -1.17 117.16 110.15 1vgt n TYR 29 Ca -0.01 -0.22 -0.35 0.00 -1.02 0.00 0.00 57.90 56.30 1vgt n TYR 29 Cb 0.28 0.00 -0.00 0.00 -1.03 0.00 0.00 39.34 38.59 1vgt n TYR 29 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1vgt s LEU 30 N -1.45 3.74 0.10 7.72 1.43 -0.96 -4.81 118.68 124.47 1vgt s LEU 30 Ca 0.37 2.14 0.04 0.00 -1.03 0.00 0.00 54.13 55.65 1vgt s LEU 30 Cb 0.21 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 1vgt s LEU 30 CO 0.29 -1.18 0.06 -0.44 0.23 0.00 0.00 176.35 175.31 1vgt s SER 31 N -1.84 5.31 -0.21 2.29 0.01 -1.26 -0.49 113.70 117.51 1vgt s SER 31 Ca 0.72 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.85 1vgt s SER 31 Cb -0.23 -1.35 0.06 0.00 0.21 0.00 0.00 66.02 64.71 1vgt s SER 31 CO 0.27 0.15 -0.00 -0.63 0.41 0.00 0.00 173.24 173.44 1vgt s ILE 32 N -1.44 0.92 0.00 1.44 1.01 -0.45 -4.87 121.20 117.81 1vgt s ILE 32 Ca 0.28 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1vgt s ILE 32 Cb -0.11 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1vgt s ILE 32 CO 0.21 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1vgt n GLY 33 N 4.90 1.43 0.80 6.18 0.00 -1.26 -2.71 105.19 114.54 1vgt n GLY 33 Ca -0.10 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1vgt n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vgt n ASN 34 N 6.30 2.47 -4.33 1.61 6.94 -1.26 -4.96 115.26 122.04 1vgt n ASN 34 Ca 0.00 -1.82 -0.19 0.00 -0.02 0.00 0.00 54.58 52.55 1vgt n ASN 34 Cb 0.00 -0.03 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 1vgt n ASN 34 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1vgt s GLN 35 N -1.93 1.27 0.75 -3.83 -0.21 -1.10 -5.13 119.66 109.48 1vgt s GLN 35 Ca 0.33 -1.49 -0.11 0.00 0.02 0.00 0.00 55.36 54.10 1vgt s GLN 35 Cb 0.20 -1.14 0.04 0.00 1.00 0.00 0.00 33.01 33.12 1vgt s GLN 35 CO 0.31 0.20 1.09 0.95 -2.12 0.00 0.00 175.29 175.73 1vgt s THR 36 N -2.62 3.37 0.24 -0.19 -4.23 -1.26 -1.35 115.64 109.60 1vgt s THR 36 Ca 0.19 0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 61.07 1vgt s THR 36 Cb -0.03 -3.29 0.23 0.00 1.34 0.00 0.00 72.50 70.76 1vgt s THR 36 CO 0.06 -0.58 1.91 0.40 -0.54 0.00 0.00 174.62 175.88 1vgt h ILE 37 N -0.87 1.23 -0.90 2.99 2.04 -0.71 -0.65 117.51 120.65 1vgt h ILE 37 Ca -0.46 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1vgt h ILE 37 Cb 1.25 -0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1vgt h ILE 37 CO 0.61 0.23 0.49 0.25 0.00 0.00 0.00 178.15 179.73 1vgt h LEU 38 N 1.27 1.12 -0.77 1.44 5.85 -1.27 0.17 115.31 123.13 1vgt h LEU 38 Ca 0.35 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 1vgt h LEU 38 Cb -0.13 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.59 1vgt h LEU 38 CO -0.08 0.90 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.54 1vgt h GLU 39 N 1.26 0.89 -0.69 1.25 5.08 -1.44 -0.11 114.58 120.82 1vgt h GLU 39 Ca 0.32 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1vgt h GLU 39 Cb 0.03 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1vgt h GLU 39 CO -0.05 0.91 0.29 0.45 -1.00 0.00 0.00 179.01 179.62 1vgt h HIS 40 N 0.81 1.02 -0.71 4.33 3.86 -0.56 -0.61 115.15 123.30 1vgt h HIS 40 Ca 0.14 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 1vgt h HIS 40 Cb 0.55 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 1vgt h HIS 40 CO 0.03 0.79 0.22 0.77 0.86 0.00 0.00 177.93 180.60 1vgt h SER 41 N 0.97 1.04 -0.11 2.45 0.02 -0.60 -1.33 113.55 115.98 1vgt h SER 41 Ca 0.23 -0.21 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 1vgt h SER 41 Cb 0.18 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.45 1vgt h SER 41 CO -0.02 0.97 -0.71 0.58 -1.14 0.00 0.00 176.83 176.51 1vgt h VAL 42 N 1.05 1.29 0.00 2.27 2.07 -0.69 -2.76 116.25 119.48 1vgt h VAL 42 Ca 0.23 -1.93 -0.07 0.00 0.82 0.00 0.00 66.70 65.75 1vgt h VAL 42 Cb 0.31 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1vgt h VAL 42 CO -0.01 0.61 -0.34 0.45 0.02 0.00 0.00 177.57 178.31 1vgt h HIS 43 N 0.53 0.00 -0.39 1.57 3.86 -0.99 -1.59 115.15 118.14 1vgt h HIS 43 Ca -0.03 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1vgt h HIS 43 Cb 1.32 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.77 1vgt h HIS 43 CO 0.08 0.34 0.02 0.00 0.86 0.00 0.00 177.93 179.22 1vgt h ALA 44 N 1.66 1.31 -0.21 2.45 0.00 -0.97 -2.56 119.26 120.94 1vgt h ALA 44 Ca -0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1vgt h ALA 44 Cb 0.61 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1vgt h ALA 44 CO 0.04 0.47 -0.56 -0.07 0.00 0.00 0.00 179.25 179.14 1vgt h LEU 45 N 0.58 0.71 0.00 0.00 3.38 -1.09 -3.09 115.31 115.82 1vgt h LEU 45 Ca 0.12 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1vgt h LEU 45 Cb 0.34 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1vgt h LEU 45 CO 0.01 1.12 0.00 0.18 0.09 0.00 0.00 178.44 179.84 1vgt n LEU 46 N -3.97 0.00 0.12 1.67 4.77 -0.71 -3.59 117.00 115.30 1vgt n LEU 46 Ca -0.04 0.29 0.03 0.00 -0.03 0.00 0.00 56.01 56.27 1vgt n LEU 46 Cb 0.62 -0.29 0.41 0.00 -2.33 0.00 0.00 43.42 41.82 1vgt n LEU 46 CO 0.48 -0.10 0.93 0.00 -1.33 0.00 0.00 177.39 177.38 1vgt h ALA 47 N 2.95 1.56 -2.62 -1.18 0.00 -1.41 -3.41 119.26 115.15 1vgt h ALA 47 Ca 0.00 -0.17 -0.58 0.00 0.00 0.00 0.00 54.91 54.16 1vgt h ALA 47 Cb 0.20 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1vgt h ALA 47 CO 0.00 0.32 0.13 -1.58 0.00 0.00 0.00 179.25 178.12 1vgt s HIS 48 N -4.83 3.48 -0.13 0.00 5.65 -1.24 -4.98 115.29 113.24 1vgt s HIS 48 Ca -0.06 1.11 0.26 0.00 0.25 0.00 0.00 55.06 56.63 1vgt s HIS 48 Cb 0.16 -2.82 1.31 0.00 -1.18 0.00 0.00 32.58 30.05 1vgt s HIS 48 CO 0.73 -0.05 1.80 -1.00 -0.65 0.00 0.00 174.74 175.56 1vgt h PRO 49 N 7.10 0.00 0.00 2.88 0.13 -1.92 -1.00 132.00 139.19 1vgt h PRO 49 Ca -0.36 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 1vgt h PRO 49 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1vgt h PRO 49 CO 0.78 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 178.25 1vgt h ARG 50 N 0.00 0.00 -6.62 0.86 3.08 -1.93 -3.41 114.38 106.36 1vgt h ARG 50 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1vgt h ARG 50 Cb 0.13 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1vgt h ARG 50 CO 0.00 0.30 1.00 0.08 -1.07 0.00 0.00 179.97 180.28 1vgt s VAL 51 N -3.43 4.05 -0.13 2.04 1.01 -0.38 -0.91 120.40 122.65 1vgt s VAL 51 Ca 0.02 1.07 0.21 0.00 0.00 0.00 0.00 61.98 63.28 1vgt s VAL 51 Cb 0.09 -4.39 -0.17 0.00 0.00 0.00 0.00 36.38 31.90 1vgt s VAL 51 CO 0.67 -0.88 0.72 0.29 0.00 0.00 0.00 175.10 175.91 1vgt n LYS 52 N 7.96 0.64 -3.68 2.72 4.76 -0.11 -4.93 118.16 125.52 1vgt n LYS 52 Ca 0.14 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.43 1vgt n LYS 52 Cb 0.48 -1.68 -0.08 0.00 -1.84 0.00 0.00 35.03 31.91 1vgt n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1vgt s ARG 53 N -3.31 0.76 -0.17 1.97 3.52 -1.24 -4.84 118.95 115.63 1vgt s ARG 53 Ca -0.05 0.12 0.01 0.00 -0.13 0.00 0.00 55.73 55.69 1vgt s ARG 53 Cb 0.11 0.35 0.03 0.00 -1.56 0.00 0.00 34.95 33.88 1vgt s ARG 53 CO 0.84 -0.20 -0.15 0.08 -0.81 0.00 0.00 175.30 175.06 1vgt s VAL 54 N -0.95 1.79 -0.28 7.11 1.01 0.22 -1.23 120.40 128.07 1vgt s VAL 54 Ca -0.10 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 1vgt s VAL 54 Cb -0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1vgt s VAL 54 CO 0.05 0.41 0.28 -0.69 0.00 0.00 0.00 175.10 175.15 1vgt s VAL 55 N 1.38 5.24 -0.25 2.92 1.01 0.13 -0.59 120.40 130.24 1vgt s VAL 55 Ca 0.03 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 1vgt s VAL 55 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1vgt s VAL 55 CO -0.11 0.18 0.09 -0.63 0.00 0.00 0.00 175.10 174.63 1vgt s ILE 56 N 1.91 4.52 -0.39 2.22 -1.09 0.85 -0.68 121.20 128.54 1vgt s ILE 56 Ca 0.11 -0.10 -0.15 0.00 -2.23 0.00 0.00 60.65 58.27 1vgt s ILE 56 Cb -0.16 -3.11 0.01 0.00 -1.58 0.00 0.00 42.46 37.62 1vgt s ILE 56 CO 0.11 0.34 0.32 0.00 -1.23 0.00 0.00 174.94 174.47 1vgt s ALA 57 N 1.49 3.48 0.31 9.38 0.00 -0.69 -1.93 121.76 133.80 1vgt s ALA 57 Ca 0.06 -1.57 0.08 0.00 0.00 0.00 0.00 51.96 50.53 1vgt s ALA 57 Cb -0.15 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1vgt s ALA 57 CO 0.05 -1.34 0.19 0.96 0.00 0.00 0.00 175.76 175.61 1vgt s ILE 58 N 1.80 3.57 0.34 0.00 -4.36 -0.43 -0.36 121.20 121.77 1vgt s ILE 58 Ca 0.07 -1.55 -0.26 0.00 -0.26 0.00 0.00 60.65 58.66 1vgt s ILE 58 Cb -0.18 -3.13 -0.10 0.00 1.25 0.00 0.00 42.46 40.31 1vgt s ILE 58 CO 0.11 -0.24 0.97 -0.44 0.24 0.00 0.00 174.94 175.58 1vgt s SER 59 N -3.87 7.20 -0.01 4.36 0.01 -1.26 -0.30 113.70 119.82 1vgt s SER 59 Ca 0.37 1.89 -0.36 0.00 1.31 0.00 0.00 55.95 59.17 1vgt s SER 59 Cb -0.05 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.45 1vgt s SER 59 CO 0.24 -0.17 1.65 -2.65 0.41 0.00 0.00 173.24 172.72 1vgt n PRO 60 N 0.42 1.76 0.00 12.44 -0.02 -1.26 -0.63 135.00 147.71 1vgt n PRO 60 Ca 0.03 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1vgt n PRO 60 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1vgt n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vgt n GLY 61 N 3.67 0.37 3.63 -1.23 0.00 -1.26 -4.25 105.19 106.12 1vgt n GLY 61 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1vgt n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vgt s ASP 62 N -2.00 6.55 0.00 1.61 -1.08 0.20 -4.50 116.67 117.45 1vgt s ASP 62 Ca 0.00 1.29 0.11 0.00 -0.52 0.00 0.00 52.55 53.44 1vgt s ASP 62 Cb 0.00 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.20 1vgt s ASP 62 CO 0.00 -1.17 1.19 -1.54 0.52 0.00 0.00 175.17 174.17 1vgt n SER 63 N 7.99 2.78 -0.02 -0.34 3.41 -1.26 -4.63 113.62 121.56 1vgt n SER 63 Ca 0.16 -1.90 -0.16 0.00 -0.26 0.00 0.00 58.87 56.71 1vgt n SER 63 Cb 0.46 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.11 1vgt n SER 63 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1vgt h ARG 64 N 2.18 0.27 -0.96 4.33 -0.00 -1.87 -3.33 114.38 115.01 1vgt h ARG 64 Ca 0.00 -0.28 0.14 0.00 -0.50 0.00 0.00 59.98 59.34 1vgt h ARG 64 Cb 0.69 0.08 -0.09 0.00 0.00 0.00 0.00 29.97 30.65 1vgt h ARG 64 CO 0.00 0.98 0.58 0.35 0.00 0.00 0.00 179.97 181.88 1vgt h PHE 65 N -0.32 1.05 0.00 3.04 3.57 -1.98 -1.73 116.94 120.57 1vgt h PHE 65 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1vgt h PHE 65 Cb 1.10 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1vgt h PHE 65 CO 0.16 0.35 0.00 0.00 -2.23 0.00 0.00 178.31 176.59 1vgt h ALA 66 N 1.56 1.00 0.00 2.41 0.00 -1.87 -1.73 119.26 120.63 1vgt h ALA 66 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1vgt h ALA 66 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1vgt h ALA 66 CO -0.30 0.00 -0.35 -0.56 0.00 0.00 0.00 179.25 178.04 1vgt h GLN 67 N 0.00 0.00 -7.10 0.00 -0.00 -1.47 -3.46 115.11 103.08 1vgt h GLN 67 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 58.65 58.19 1vgt h GLN 67 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.56 1vgt h GLN 67 CO 0.00 0.00 0.33 -0.51 -0.00 0.00 0.00 178.83 178.65 1vgt s LEU 68 N -4.75 3.76 0.43 0.06 1.43 -0.65 -4.94 118.68 114.01 1vgt s LEU 68 Ca 0.07 1.56 0.09 0.00 -1.03 0.00 0.00 54.13 54.82 1vgt s LEU 68 Cb 0.11 -4.46 0.93 0.00 0.03 0.00 0.00 46.19 42.81 1vgt s LEU 68 CO 0.68 -0.48 2.06 -0.65 0.23 0.00 0.00 176.35 178.18 1vgt h PRO 69 N 1.31 0.46 0.00 1.29 0.11 -1.91 -0.23 132.00 133.03 1vgt h PRO 69 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1vgt h PRO 69 Cb 1.18 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1vgt h PRO 69 CO 0.62 0.30 -0.04 1.25 -0.21 0.00 0.00 178.00 179.92 1vgt h LEU 70 N 0.47 0.00 -2.49 2.35 5.85 -1.92 -2.59 115.31 116.98 1vgt h LEU 70 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1vgt h LEU 70 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1vgt h LEU 70 CO -0.03 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1vgt h ALA 71 N 1.96 1.00 -0.66 1.25 0.00 -1.26 -0.32 119.26 121.23 1vgt h ALA 71 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vgt h ALA 71 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1vgt h ALA 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1vgt n ASN 72 N -2.90 4.29 -4.74 0.00 5.03 -0.97 -4.96 115.26 111.01 1vgt n ASN 72 Ca -0.02 -2.23 -0.41 0.00 0.87 0.00 0.00 54.58 52.78 1vgt n ASN 72 Cb 0.09 -0.52 -0.04 0.00 -1.02 0.00 0.00 39.78 38.29 1vgt n ASN 72 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1vgt s HIS 73 N -1.44 3.50 0.38 3.10 2.46 -0.13 -4.92 115.29 118.24 1vgt s HIS 73 Ca 0.49 1.49 0.36 0.00 0.47 0.00 0.00 55.06 57.87 1vgt s HIS 73 Cb 0.28 -3.36 1.77 0.00 -0.13 0.00 0.00 32.58 31.14 1vgt s HIS 73 CO 0.28 -0.94 2.15 -1.00 -2.47 0.00 0.00 174.74 172.76 1vgt h PRO 74 N 5.35 0.00 -0.39 2.88 0.13 -1.93 -2.60 132.00 135.44 1vgt h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1vgt h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1vgt h PRO 74 CO 0.74 0.03 0.00 1.04 -0.23 0.00 0.00 178.00 179.59 1vgt n GLN 75 N -3.23 2.33 -3.84 0.86 6.02 -1.26 -4.90 117.38 113.35 1vgt n GLN 75 Ca -0.01 -2.02 -0.37 0.00 -0.01 0.00 0.00 57.00 54.59 1vgt n GLN 75 Cb 0.21 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 1vgt n GLN 75 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1vgt s ILE 76 N -1.49 5.48 -0.05 5.09 1.09 -0.98 -0.61 121.20 129.72 1vgt s ILE 76 Ca 0.38 0.22 0.03 0.00 -1.10 0.00 0.00 60.65 60.18 1vgt s ILE 76 Cb 0.21 -3.42 0.00 0.00 -1.06 0.00 0.00 42.46 38.19 1vgt s ILE 76 CO 0.30 0.58 -0.14 -0.89 -0.10 0.00 0.00 174.94 174.68 1vgt s THR 77 N -0.72 1.23 -0.14 2.92 2.01 0.24 -4.91 115.64 116.28 1vgt s THR 77 Ca 0.14 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1vgt s THR 77 Cb -0.12 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 1vgt s THR 77 CO 0.03 0.37 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.48 1vgt s VAL 78 N 0.32 2.69 0.14 3.82 1.01 -1.26 -0.10 120.40 127.01 1vgt s VAL 78 Ca -0.08 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.16 1vgt s VAL 78 Cb -0.13 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1vgt s VAL 78 CO 0.03 0.53 -0.11 0.68 0.00 0.00 0.00 175.10 176.23 1vgt s VAL 79 N 0.56 1.19 0.13 2.92 -7.23 -0.81 -4.97 120.40 112.20 1vgt s VAL 79 Ca -0.10 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 57.83 1vgt s VAL 79 Cb -0.16 -1.80 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 1vgt s VAL 79 CO 0.04 -0.70 0.70 -1.81 -0.31 0.00 0.00 175.10 173.01 1vgt s ASP 80 N -3.07 7.25 0.00 4.85 1.01 -1.26 -1.31 116.67 124.14 1vgt s ASP 80 Ca 0.16 1.49 0.00 0.00 0.71 0.00 0.00 52.55 54.91 1vgt s ASP 80 Cb 0.01 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1vgt s ASP 80 CO 0.01 0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.23 1vgt n GLY 81 N 1.60 2.67 0.00 0.21 0.00 0.59 -4.81 105.19 105.44 1vgt n GLY 81 Ca -0.07 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1vgt n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vgt n GLY 82 N 5.00 5.58 0.45 -0.02 0.00 -1.26 -4.60 105.19 110.34 1vgt n GLY 82 Ca 0.00 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.86 1vgt n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vgt h ASP 83 N 0.00 -0.97 -2.16 1.61 3.45 -2.01 -3.42 116.42 112.93 1vgt h ASP 83 Ca 0.00 0.03 -0.45 0.00 0.43 0.00 0.00 57.03 57.04 1vgt h ASP 83 Cb 0.00 0.25 0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1vgt h ASP 83 CO 0.00 -0.67 -0.31 -1.61 -1.57 0.00 0.00 179.24 175.08 1vgt s GLU 84 N -5.41 3.23 0.29 3.56 2.02 -1.26 -4.94 118.70 116.19 1vgt s GLU 84 Ca -0.17 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.06 1vgt s GLU 84 Cb 0.02 -2.78 0.65 0.00 0.10 0.00 0.00 34.13 32.11 1vgt s GLU 84 CO 0.50 0.12 1.78 -0.09 0.02 0.00 0.00 175.26 177.58 1vgt h ARG 85 N 0.87 0.72 -0.72 1.61 2.43 -1.95 -0.75 114.38 116.59 1vgt h ARG 85 Ca -0.48 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 1vgt h ARG 85 Cb 1.24 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1vgt h ARG 85 CO 0.57 0.48 0.39 0.00 -1.51 0.00 0.00 179.97 179.90 1vgt h ALA 86 N 1.61 1.34 -0.46 2.80 0.00 -1.94 -0.05 119.26 122.55 1vgt h ALA 86 Ca 0.53 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 1vgt h ALA 86 Cb 0.77 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1vgt h ALA 86 CO -0.36 0.54 0.06 -0.44 0.00 0.00 0.00 179.25 179.05 1vgt h ASP 87 N 1.01 0.75 -0.15 0.00 3.32 -1.53 -0.94 116.42 118.88 1vgt h ASP 87 Ca 0.26 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1vgt h ASP 87 Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1vgt h ASP 87 CO -0.04 0.84 0.09 0.28 -1.72 0.00 0.00 179.24 178.69 1vgt h SER 88 N 0.64 0.18 -0.69 6.45 0.02 -0.89 -0.83 113.55 118.44 1vgt h SER 88 Ca 0.14 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1vgt h SER 88 Cb 0.42 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1vgt h SER 88 CO 0.01 0.16 0.42 0.58 -1.14 0.00 0.00 176.83 176.86 1vgt h VAL 89 N 0.18 1.20 -0.55 2.27 2.07 -0.87 -0.80 116.25 119.75 1vgt h VAL 89 Ca 0.05 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1vgt h VAL 89 Cb 0.01 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1vgt h VAL 89 CO -0.01 0.20 0.20 -0.07 0.02 0.00 0.00 177.57 177.91 1vgt h LEU 90 N 0.94 0.73 -0.53 2.57 3.38 -1.01 -0.25 115.31 121.13 1vgt h LEU 90 Ca 0.25 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1vgt h LEU 90 Cb -0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1vgt h LEU 90 CO -0.05 0.68 0.10 0.00 0.09 0.00 0.00 178.44 179.26 1vgt h ALA 91 N 1.43 0.70 -0.52 1.53 0.00 -0.73 -2.80 119.26 118.87 1vgt h ALA 91 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1vgt h ALA 91 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1vgt h ALA 91 CO -0.01 0.42 0.18 0.78 0.00 0.00 0.00 179.25 180.62 1vgt h GLY 92 N 0.75 0.81 2.00 0.00 0.00 -0.15 -2.68 103.07 103.80 1vgt h GLY 92 Ca 0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1vgt h GLY 92 CO 0.01 0.39 -0.10 1.41 0.00 0.00 0.00 176.54 178.25 1vgt h LEU 93 N 0.74 0.00 -2.50 3.11 3.38 -0.81 -1.95 115.31 117.28 1vgt h LEU 93 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1vgt h LEU 93 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1vgt h LEU 93 CO -0.01 0.10 -0.00 0.11 0.09 0.00 0.00 178.44 178.72 1vgt h LYS 94 N 0.00 0.00 -0.50 1.13 1.57 -1.43 -2.18 116.57 115.16 1vgt h LYS 94 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vgt h LYS 94 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1vgt h LYS 94 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 1vgt n ALA 95 N -2.08 2.88 1.64 3.86 0.00 -0.73 -4.58 120.51 121.49 1vgt n ALA 95 Ca -0.02 -1.66 0.15 0.00 0.00 0.00 0.00 53.44 51.91 1vgt n ALA 95 Cb 0.15 -0.82 0.81 0.00 0.00 0.00 0.00 19.45 19.59 1vgt n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vgt n ALA 96 N 0.64 2.52 -0.65 0.00 0.00 -0.82 -4.98 120.51 117.22 1vgt n ALA 96 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1vgt n ALA 96 Cb 0.80 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1vgt n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vgt n GLY 97 N 0.98 2.44 0.70 0.00 0.00 -1.26 -2.42 105.19 105.63 1vgt n GLY 97 Ca 0.19 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1vgt n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vgt n ASP 98 N 5.63 2.13 -4.75 1.61 10.43 -1.26 -4.96 116.55 125.37 1vgt n ASP 98 Ca 0.00 -1.76 -0.41 0.00 2.57 0.00 0.00 54.79 55.19 1vgt n ASP 98 Cb 0.00 -0.10 -0.02 0.00 1.84 0.00 0.00 41.12 42.84 1vgt n ASP 98 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1vgt s ALA 99 N -1.79 3.66 -0.60 2.24 0.00 -1.02 -4.90 121.76 119.36 1vgt s ALA 99 Ca 0.34 1.45 0.22 0.00 0.00 0.00 0.00 51.96 53.97 1vgt s ALA 99 Cb 0.19 -3.59 -0.16 0.00 0.00 0.00 0.00 23.12 19.56 1vgt s ALA 99 CO 0.29 -0.87 0.83 1.04 0.00 0.00 0.00 175.76 177.05 1vgt n GLN 100 N 1.92 0.28 -4.62 0.00 6.02 -1.26 -4.83 117.38 114.89 1vgt n GLN 100 Ca 0.06 -0.06 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1vgt n GLN 100 Cb 0.39 -1.54 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 1vgt n GLN 100 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1vgt s TRP 101 N -3.21 2.12 -0.01 1.08 0.52 -1.26 -0.34 118.94 117.84 1vgt s TRP 101 Ca 0.02 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.76 1vgt s TRP 101 Cb 0.15 -1.22 0.00 0.00 -1.15 0.00 0.00 33.47 31.25 1vgt s TRP 101 CO 0.86 0.19 -0.06 0.08 0.02 0.00 0.00 176.95 178.03 1vgt s VAL 102 N -0.92 0.53 -0.10 4.03 1.01 -0.24 -2.95 120.40 121.75 1vgt s VAL 102 Ca 0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1vgt s VAL 102 Cb -0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1vgt s VAL 102 CO 0.03 0.17 0.11 -0.76 0.00 0.00 0.00 175.10 174.66 1vgt s LEU 103 N 0.11 4.22 -0.17 3.92 1.43 -0.50 -1.66 118.68 126.02 1vgt s LEU 103 Ca -0.01 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1vgt s LEU 103 Cb -0.06 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1vgt s LEU 103 CO -0.00 0.39 -0.20 -0.69 0.23 0.00 0.00 176.35 176.08 1vgt s VAL 104 N -1.03 2.03 0.04 -1.59 1.01 0.20 0.08 120.40 121.15 1vgt s VAL 104 Ca 0.16 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1vgt s VAL 104 Cb -0.12 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1vgt s VAL 104 CO 0.05 0.54 -0.16 -2.28 0.00 0.00 0.00 175.10 173.25 1vgt s HIS 105 N 1.20 1.38 0.16 5.22 5.04 -0.40 -1.38 115.29 126.51 1vgt s HIS 105 Ca 0.02 -0.36 -0.31 0.00 -1.54 0.00 0.00 55.06 52.88 1vgt s HIS 105 Cb -0.14 -0.82 -0.08 0.00 0.04 0.00 0.00 32.58 31.58 1vgt s HIS 105 CO -0.10 0.05 1.34 -0.51 -2.34 0.00 0.00 174.74 173.18 1vgt s ASP 106 N -1.18 6.87 0.53 9.88 -0.00 -1.26 -4.10 116.67 127.41 1vgt s ASP 106 Ca 0.03 2.36 0.20 0.00 -0.00 0.00 0.00 52.55 55.14 1vgt s ASP 106 Cb -0.08 -2.60 1.40 0.00 -0.00 0.00 0.00 42.92 41.63 1vgt s ASP 106 CO 0.01 -0.58 2.15 0.00 -0.00 0.00 0.00 175.17 176.76 1vgt h ALA 107 N 5.97 1.78 -0.99 5.23 0.00 -1.92 -2.52 119.26 126.81 1vgt h ALA 107 Ca -0.44 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 53.88 1vgt h ALA 107 Cb 1.21 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.70 1vgt h ALA 107 CO 0.81 0.04 0.71 0.00 0.00 0.00 0.00 179.25 180.82 1vgt n ALA 108 N -2.46 5.79 -3.86 0.00 0.00 -1.26 -3.96 120.51 114.76 1vgt n ALA 108 Ca -0.03 -3.04 -0.28 0.00 0.00 0.00 0.00 53.44 50.10 1vgt n ALA 108 Cb 0.12 -1.54 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 1vgt n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vgt n ARG 109 N -1.07 1.75 0.00 0.00 1.74 -0.95 -0.47 116.66 117.67 1vgt n ARG 109 Ca 0.60 -4.41 0.14 0.00 -0.77 0.00 0.00 57.85 53.41 1vgt n ARG 109 Cb 1.39 -2.25 0.55 0.00 -1.02 0.00 0.00 32.46 31.13 1vgt n ARG 109 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1vgt n PRO 110 N 1.98 1.22 -0.55 5.56 -0.04 -1.26 -3.86 135.00 138.05 1vgt n PRO 110 Ca 0.21 -0.62 0.09 0.00 -0.04 0.00 0.00 63.50 63.14 1vgt n PRO 110 Cb 0.36 -1.49 0.33 0.00 -0.04 0.00 0.00 33.50 32.66 1vgt n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vgt n LEU 112 N 0.93 3.64 -4.88 0.00 7.94 -1.25 -4.68 117.00 118.71 1vgt n LEU 112 Ca 0.24 1.04 -0.34 0.00 -1.11 0.00 0.00 56.01 55.83 1vgt n LEU 112 Cb 0.83 -1.49 -0.05 0.00 0.53 0.00 0.00 43.42 43.24 1vgt n LEU 112 CO 0.21 -0.01 0.01 -2.28 -1.11 0.00 0.00 177.39 174.21 1vgt s HIS 113 N 1.85 3.57 0.43 1.96 5.65 -1.26 -4.85 115.29 122.64 1vgt s HIS 113 Ca 0.80 0.66 0.08 0.00 0.25 0.00 0.00 55.06 56.86 1vgt s HIS 113 Cb -0.58 -2.06 0.92 0.00 -1.18 0.00 0.00 32.58 29.68 1vgt s HIS 113 CO 0.38 0.56 2.07 -0.56 -0.65 0.00 0.00 174.74 176.54 1vgt h GLN 114 N 3.77 0.46 -0.26 2.88 -0.00 -1.93 -2.00 115.11 118.02 1vgt h GLN 114 Ca -0.49 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.13 1vgt h GLN 114 Cb 1.19 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 28.56 1vgt h GLN 114 CO 0.67 0.30 0.17 -0.44 -0.00 0.00 0.00 178.83 179.53 1vgt h ASP 115 N 0.47 0.31 -0.34 0.06 3.45 -1.99 0.53 116.42 118.91 1vgt h ASP 115 Ca 0.13 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.52 1vgt h ASP 115 Cb -0.05 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 1vgt h ASP 115 CO -0.03 0.24 0.08 0.44 -1.57 0.00 0.00 179.24 178.40 1vgt h ASP 116 N 0.34 0.52 -0.84 6.45 3.32 -1.78 -2.31 116.42 122.12 1vgt h ASP 116 Ca 0.10 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.94 1vgt h ASP 116 Cb -0.02 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 1vgt h ASP 116 CO -0.02 0.62 0.54 0.25 -1.72 0.00 0.00 179.24 178.91 1vgt h LEU 117 N 0.39 0.90 -0.64 1.55 5.85 -1.13 -0.34 115.31 121.88 1vgt h LEU 117 Ca 0.11 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1vgt h LEU 117 Cb 0.31 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1vgt h LEU 117 CO 0.00 0.62 0.04 0.00 -0.34 0.00 0.00 178.44 178.76 1vgt h ALA 118 N 1.35 0.86 -0.62 1.25 0.00 -0.78 0.12 119.26 121.43 1vgt h ALA 118 Ca 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1vgt h ALA 118 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1vgt h ALA 118 CO -0.11 0.67 0.23 -0.09 0.00 0.00 0.00 179.25 179.95 1vgt h ARG 119 N 1.01 0.94 -0.50 0.00 2.43 -1.04 -1.76 114.38 115.45 1vgt h ARG 119 Ca 0.18 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1vgt h ARG 119 Cb 0.53 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1vgt h ARG 119 CO 0.03 0.81 -0.11 1.25 -1.51 0.00 0.00 179.97 180.43 1vgt h LEU 120 N 0.87 0.96 -2.00 3.80 5.85 -0.80 -2.84 115.31 121.15 1vgt h LEU 120 Ca 0.20 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1vgt h LEU 120 Cb 0.23 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1vgt h LEU 120 CO -0.01 1.09 -0.09 -0.07 -0.34 0.00 0.00 178.44 179.02 1vgt h LEU 121 N 0.81 0.00 -2.51 2.25 3.38 -0.57 -0.61 115.31 118.06 1vgt h LEU 121 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1vgt h LEU 121 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1vgt h LEU 121 CO 0.05 0.09 -0.00 0.00 0.09 0.00 0.00 178.44 178.66 1vgt h ALA 122 N 1.91 1.01 -0.02 1.53 0.00 -1.07 -2.63 119.26 120.00 1vgt h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vgt h ALA 122 Cb 0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1vgt h ALA 122 CO 0.01 0.00 0.01 -0.07 0.00 0.00 0.00 179.25 179.21 1vgt h LEU 123 N 0.00 0.00 -1.20 0.00 3.38 -1.21 -2.47 115.31 113.81 1vgt h LEU 123 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vgt h LEU 123 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1vgt h LEU 123 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.30 1vgt h SER 124 N 0.00 0.00 1.01 -0.43 4.64 -1.68 0.29 113.55 117.38 1vgt h SER 124 Ca 0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 1vgt h SER 124 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1vgt h SER 124 CO -0.00 0.00 -0.67 -0.33 -0.87 0.00 0.00 176.83 174.96 1vgt h GLU 125 N 0.00 0.00 0.00 4.77 3.07 -1.65 -3.41 114.58 117.36 1vgt h GLU 125 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1vgt h GLU 125 Cb 0.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1vgt h GLU 125 CO 0.00 0.67 -1.13 -2.37 -1.40 0.00 0.00 179.01 174.78 1vgt n THR 126 N -3.45 0.13 -3.60 1.13 5.66 -1.11 -5.10 114.28 107.95 1vgt n THR 126 Ca 0.00 -0.07 -0.20 0.00 -3.05 0.00 0.00 64.05 60.74 1vgt n THR 126 Cb 0.74 -0.79 -0.01 0.00 -1.55 0.00 0.00 70.33 68.71 1vgt n THR 126 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1vgt s SER 127 N -3.66 5.84 -0.01 1.09 0.15 0.99 -5.04 113.70 113.06 1vgt s SER 127 Ca -0.02 -0.23 0.11 0.00 0.70 0.00 0.00 55.95 56.51 1vgt s SER 127 Cb 0.01 -1.23 -0.15 0.00 -1.71 0.00 0.00 66.02 62.94 1vgt s SER 127 CO 0.07 -0.38 0.32 0.54 1.20 0.00 0.00 173.24 174.99 1vgt n ARG 128 N -1.55 1.51 0.00 5.44 3.00 -1.26 -4.71 116.66 119.08 1vgt n ARG 128 Ca -0.01 -0.06 0.03 0.00 -0.01 0.00 0.00 57.85 57.79 1vgt n ARG 128 Cb 0.58 -1.17 -0.02 0.00 0.00 0.00 0.00 32.46 31.85 1vgt n ARG 128 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1vgt n THR 129 N -1.65 0.00 -3.46 0.55 -2.24 -1.26 -4.75 114.28 101.47 1vgt n THR 129 Ca -0.01 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1vgt n THR 129 Cb 0.24 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1vgt n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vgt n GLY 130 N 1.02 -1.64 0.00 3.38 0.00 -1.26 -4.62 105.19 102.07 1vgt n GLY 130 Ca 0.01 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1vgt n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vgt n GLY 131 N 0.00 -1.02 3.22 -0.02 0.00 -0.27 -1.14 105.19 105.96 1vgt n GLY 131 Ca 0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 1vgt n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vgt s ILE 132 N -2.00 1.17 0.51 -0.61 -4.36 -0.32 -0.34 121.20 115.25 1vgt s ILE 132 Ca 0.00 -1.73 -0.21 0.00 -0.26 0.00 0.00 60.65 58.45 1vgt s ILE 132 Cb 0.00 -1.51 -0.06 0.00 1.25 0.00 0.00 42.46 42.14 1vgt s ILE 132 CO 0.00 -0.51 1.15 -0.76 0.24 0.00 0.00 174.94 175.06 1vgt s LEU 133 N -2.54 3.86 0.10 0.37 1.02 -0.96 -0.68 118.68 119.84 1vgt s LEU 133 Ca 0.09 2.25 -0.23 0.00 0.02 0.00 0.00 54.13 56.26 1vgt s LEU 133 Cb -0.03 -4.43 0.06 0.00 0.02 0.00 0.00 46.19 41.81 1vgt s LEU 133 CO 0.02 -1.11 0.57 0.00 0.02 0.00 0.00 176.35 175.84 1vgt s ALA 134 N -1.66 -1.48 -0.07 4.21 0.00 -0.13 -0.37 121.76 122.26 1vgt s ALA 134 Ca 0.69 0.56 0.01 0.00 0.00 0.00 0.00 51.96 53.23 1vgt s ALA 134 Cb -0.26 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1vgt s ALA 134 CO 0.31 -0.64 -0.09 0.00 0.00 0.00 0.00 175.76 175.34 1vgt s ALA 135 N -3.12 1.14 0.51 0.00 0.00 -0.43 -1.03 121.76 118.82 1vgt s ALA 135 Ca -0.02 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1vgt s ALA 135 Cb -0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 1vgt s ALA 135 CO -0.07 -0.07 1.38 -2.14 0.00 0.00 0.00 175.76 174.86 1vgt s PRO 136 N 1.03 3.36 -0.07 0.00 0.02 -1.26 0.91 135.00 138.99 1vgt s PRO 136 Ca -0.08 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 1vgt s PRO 136 Cb -0.15 -2.41 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 1vgt s PRO 136 CO -0.00 -1.04 1.40 0.08 -0.33 0.00 0.00 177.00 177.11 1vgt s VAL 137 N -1.27 3.90 -0.68 3.83 1.01 -0.36 -4.80 120.40 122.03 1vgt s VAL 137 Ca 0.67 1.19 0.10 0.00 0.00 0.00 0.00 61.98 63.94 1vgt s VAL 137 Cb -0.42 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 1vgt s VAL 137 CO 0.51 -0.06 0.52 0.54 0.00 0.00 0.00 175.10 176.62 1vgt n ARG 138 N 6.11 3.00 0.00 2.72 5.12 -1.26 -4.96 116.66 127.39 1vgt n ARG 138 Ca 0.14 -0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 1vgt n ARG 138 Cb 0.44 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 1vgt n ARG 138 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1vgt n ASP 139 N -0.84 0.65 -4.28 0.55 3.85 -1.26 -5.14 116.55 110.07 1vgt n ASP 139 Ca 0.03 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 53.82 1vgt n ASP 139 Cb 0.19 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 39.80 1vgt n ASP 139 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1vgt s THR 140 N 1.85 1.90 0.11 2.12 -4.23 -1.26 -4.95 115.64 111.18 1vgt s THR 140 Ca 0.00 -1.13 0.10 0.00 -1.18 0.00 0.00 61.69 59.48 1vgt s THR 140 Cb 0.00 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 1vgt s THR 140 CO 0.00 0.44 -0.24 -0.04 -0.54 0.00 0.00 174.62 174.24 1vgt s MET 141 N -0.81 1.26 0.03 3.99 -1.94 -1.26 -5.08 119.30 115.49 1vgt s MET 141 Ca 0.09 -1.25 0.08 0.00 -1.71 0.00 0.00 55.69 52.90 1vgt s MET 141 Cb -0.09 -1.64 -0.02 0.00 2.01 0.00 0.00 34.83 35.09 1vgt s MET 141 CO 0.00 0.39 -0.23 0.15 -0.01 0.00 0.00 175.02 175.32 1vgt s LYS 142 N -1.97 1.64 -0.22 2.03 -0.14 -1.26 -1.41 119.74 118.40 1vgt s LYS 142 Ca 0.10 -0.95 -0.08 0.00 -1.36 0.00 0.00 55.97 53.67 1vgt s LYS 142 Cb -0.10 -1.72 -0.04 0.00 -1.68 0.00 0.00 37.83 34.29 1vgt s LYS 142 CO 0.05 0.45 0.10 0.50 -0.76 0.00 0.00 175.35 175.69 1vgt s ARG 143 N -1.01 3.92 0.53 1.68 6.06 0.53 -4.87 118.95 125.79 1vgt s ARG 143 Ca 0.09 -0.36 -0.16 0.00 -2.50 0.00 0.00 55.73 52.80 1vgt s ARG 143 Cb -0.09 -3.36 -0.07 0.00 0.06 0.00 0.00 34.95 31.49 1vgt s ARG 143 CO 0.01 0.07 1.00 0.00 -2.50 0.00 0.00 175.30 173.88 1vgt s ALA 144 N 0.97 3.01 0.54 6.12 0.00 -1.26 0.27 121.76 131.42 1vgt s ALA 144 Ca 0.05 0.21 -0.21 0.00 0.00 0.00 0.00 51.96 52.01 1vgt s ALA 144 Cb -0.14 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1vgt s ALA 144 CO 0.03 -0.34 1.24 -1.21 0.00 0.00 0.00 175.76 175.48 1vgt s GLU 145 N -4.10 3.25 -0.02 0.00 2.02 0.86 -4.49 118.70 116.22 1vgt s GLU 145 Ca 0.60 1.93 -0.34 0.00 0.02 0.00 0.00 54.97 57.18 1vgt s GLU 145 Cb -0.11 -2.16 -0.12 0.00 0.10 0.00 0.00 34.13 31.84 1vgt s GLU 145 CO 0.33 -1.01 1.82 -2.30 0.02 0.00 0.00 175.26 174.12 1vgt n PRO 146 N -1.10 2.24 -1.53 0.39 -0.02 -1.26 -1.90 135.00 131.82 1vgt n PRO 146 Ca 0.11 0.82 -0.14 0.00 -2.02 0.00 0.00 63.50 62.26 1vgt n PRO 146 Cb 0.48 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 1vgt n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vgt n GLY 147 N 4.19 1.26 2.97 -1.23 0.00 -1.26 -4.99 105.19 106.14 1vgt n GLY 147 Ca 0.21 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1vgt n GLY 147 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vgt s LYS 148 N -3.41 0.27 -1.00 1.61 -2.85 -0.80 -5.06 119.74 108.50 1vgt s LYS 148 Ca 0.00 -0.53 -0.02 0.00 -1.00 0.00 0.00 55.97 54.42 1vgt s LYS 148 Cb 0.00 0.10 0.28 0.00 -2.06 0.00 0.00 37.83 36.15 1vgt s LYS 148 CO 0.00 -0.04 2.02 0.09 0.10 0.00 0.00 175.35 177.51 1vgt n ASN 149 N 1.79 7.46 -4.16 0.03 3.02 -1.26 -4.02 115.26 118.11 1vgt n ASN 149 Ca -0.22 -3.61 -0.22 0.00 -0.03 0.00 0.00 54.58 50.50 1vgt n ASN 149 Cb 0.56 -1.18 -0.14 0.00 -0.61 0.00 0.00 39.78 38.41 1vgt n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vgt s ALA 150 N -3.64 1.33 0.03 5.41 0.00 -1.26 -5.03 121.76 118.59 1vgt s ALA 150 Ca 0.45 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 1vgt s ALA 150 Cb 0.25 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 1vgt s ALA 150 CO -0.19 0.28 1.31 0.42 0.00 0.00 0.00 175.76 177.58 1vgt s ILE 151 N -0.72 3.82 -0.13 0.00 1.01 -1.26 -0.10 121.20 123.82 1vgt s ILE 151 Ca 0.04 1.25 -0.10 0.00 0.00 0.00 0.00 60.65 61.84 1vgt s ILE 151 Cb -0.08 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 1vgt s ILE 151 CO 0.01 0.04 0.09 0.00 0.00 0.00 0.00 174.94 175.08 1vgt h ALA 152 N 7.32 0.03 -2.91 9.38 0.00 -0.40 -3.43 119.26 129.25 1vgt h ALA 152 Ca -0.39 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.23 1vgt h ALA 152 Cb 1.19 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1vgt h ALA 152 CO 0.87 0.24 0.27 -3.38 0.00 0.00 0.00 179.25 177.24 1vgt s HIS 153 N -1.96 -0.18 0.24 0.00 0.00 -1.03 -5.00 115.29 107.36 1vgt s HIS 153 Ca -0.11 -0.26 -0.30 0.00 -3.00 0.00 0.00 55.06 51.40 1vgt s HIS 153 Cb 0.01 0.70 -0.09 0.00 -4.00 0.00 0.00 32.58 29.20 1vgt s HIS 153 CO 0.24 -1.18 0.94 0.99 -1.00 0.00 0.00 174.74 174.73 1vgt s THR 154 N -3.83 4.08 -0.14 -5.38 2.01 -1.26 -0.34 115.64 110.77 1vgt s THR 154 Ca 0.11 2.09 -0.13 0.00 0.31 0.00 0.00 61.69 64.07 1vgt s THR 154 Cb -0.05 -4.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.08 1vgt s THR 154 CO 0.06 0.50 0.29 -0.69 -0.69 0.00 0.00 174.62 174.09 1vgt s VAL 155 N -1.15 5.30 0.16 3.82 1.01 -0.50 -4.84 120.40 124.20 1vgt s VAL 155 Ca 0.41 0.54 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 1vgt s VAL 155 Cb -0.26 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 1vgt s VAL 155 CO 0.32 0.42 1.76 -0.62 0.00 0.00 0.00 175.10 176.98 1vgt s ASP 156 N 0.21 6.43 0.00 3.32 -1.08 -1.26 -4.45 116.67 119.84 1vgt s ASP 156 Ca 0.17 2.77 0.25 0.00 -0.52 0.00 0.00 52.55 55.22 1vgt s ASP 156 Cb -0.13 -2.58 0.46 0.00 -1.46 0.00 0.00 42.92 39.20 1vgt s ASP 156 CO 0.05 -0.97 1.38 -2.11 0.52 0.00 0.00 175.17 174.03 1vgt n ARG 157 N 4.88 0.66 -1.96 4.34 1.85 -1.26 -4.74 116.66 120.42 1vgt n ARG 157 Ca 0.17 -0.44 -0.42 0.00 -1.00 0.00 0.00 57.85 56.15 1vgt n ARG 157 Cb 0.37 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.26 1vgt n ARG 157 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1vgt s ASN 158 N -2.65 6.63 -1.11 2.89 0.01 -1.26 -1.69 114.94 117.76 1vgt s ASN 158 Ca 0.19 2.50 0.00 0.00 -0.71 0.00 0.00 52.86 54.84 1vgt s ASN 158 Cb 0.18 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.27 1vgt s ASN 158 CO 0.60 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 1vgt n GLY 159 N 3.86 1.16 3.71 0.66 0.00 -1.26 -5.01 105.19 108.31 1vgt n GLY 159 Ca 0.15 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1vgt n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vgt s LEU 160 N -2.39 4.18 0.06 0.99 2.96 -0.68 -5.07 118.68 118.73 1vgt s LEU 160 Ca 0.00 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1vgt s LEU 160 Cb 0.00 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1vgt s LEU 160 CO 0.00 0.15 -0.13 0.26 -1.32 0.00 0.00 176.35 175.30 1vgt s TRP 161 N 0.56 1.16 -0.08 5.38 0.52 -1.26 -1.23 118.94 123.99 1vgt s TRP 161 Ca 0.08 -0.43 -0.28 0.00 0.02 0.00 0.00 56.10 55.50 1vgt s TRP 161 Cb -0.12 -0.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.51 1vgt s TRP 161 CO -0.00 0.04 0.91 -1.01 0.02 0.00 0.00 176.95 176.90 1vgt s HIS 162 N -1.14 3.55 -0.04 -1.98 3.76 0.26 -4.88 115.29 114.82 1vgt s HIS 162 Ca -0.02 1.49 -0.30 0.00 -0.15 0.00 0.00 55.06 56.08 1vgt s HIS 162 Cb -0.09 -3.06 -0.03 0.00 1.11 0.00 0.00 32.58 30.51 1vgt s HIS 162 CO 0.02 -0.11 1.01 0.00 -0.85 0.00 0.00 174.74 174.81 1vgt s ALA 163 N 1.53 3.28 0.00 -1.40 0.00 -1.26 -1.32 121.76 122.59 1vgt s ALA 163 Ca 0.45 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1vgt s ALA 163 Cb -0.19 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1vgt s ALA 163 CO 0.20 -0.41 0.00 1.28 0.00 0.00 0.00 175.76 176.83 1vgt n LEU 164 N 4.37 0.00 -4.12 0.00 4.77 0.51 -4.95 117.00 117.58 1vgt n LEU 164 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 1vgt n LEU 164 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1vgt n LEU 164 CO 0.52 -0.15 -0.35 0.42 -1.33 0.00 0.00 177.39 176.51 1vgt s THR 165 N 0.62 0.25 0.96 -5.08 -4.23 -1.26 -4.43 115.64 102.46 1vgt s THR 165 Ca 0.00 -1.85 -0.12 0.00 -1.18 0.00 0.00 61.69 58.54 1vgt s THR 165 Cb 0.00 -1.69 0.16 0.00 1.34 0.00 0.00 72.50 72.32 1vgt s THR 165 CO 0.00 -0.84 1.09 -2.84 -0.54 0.00 0.00 174.62 171.49 1vgt s PRO 166 N -3.94 0.75 -0.14 3.99 0.02 -1.26 -4.83 135.00 129.59 1vgt s PRO 166 Ca 0.12 0.86 0.02 0.00 0.02 0.00 0.00 61.00 62.01 1vgt s PRO 166 Cb 0.08 -1.75 0.02 0.00 0.02 0.00 0.00 34.50 32.86 1vgt s PRO 166 CO -0.06 -2.60 -0.18 -0.65 -0.33 0.00 0.00 177.00 173.18 1vgt s GLN 167 N -4.83 2.65 -0.18 5.54 -0.21 -0.48 -2.27 119.66 119.87 1vgt s GLN 167 Ca 0.65 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 55.32 1vgt s GLN 167 Cb -0.20 -2.24 0.01 0.00 1.00 0.00 0.00 33.01 31.58 1vgt s GLN 167 CO 0.58 -0.11 -0.18 0.12 -2.12 0.00 0.00 175.29 173.58 1vgt s PHE 168 N 1.10 2.80 0.08 0.91 5.99 0.53 -0.63 117.98 128.76 1vgt s PHE 168 Ca -0.02 -1.51 -0.06 0.00 0.00 0.00 0.00 56.93 55.34 1vgt s PHE 168 Cb -0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 43.02 40.93 1vgt s PHE 168 CO -0.06 -0.75 0.13 -0.06 -0.00 0.00 0.00 175.22 174.48 1vgt s PHE 169 N 1.27 0.28 0.33 10.12 0.40 -0.67 -1.11 117.98 128.60 1vgt s PHE 169 Ca 0.04 -0.74 -0.29 0.00 -0.60 0.00 0.00 56.93 55.34 1vgt s PHE 169 Cb -0.13 -0.16 -0.11 0.00 0.51 0.00 0.00 43.02 43.12 1vgt s PHE 169 CO -0.11 -0.50 1.56 -2.14 0.70 0.00 0.00 175.22 174.73 1vgt s PRO 170 N -3.88 4.11 0.12 0.24 0.02 -1.26 -1.08 135.00 133.26 1vgt s PRO 170 Ca 0.06 2.59 -0.21 0.00 0.02 0.00 0.00 61.00 63.47 1vgt s PRO 170 Cb 0.06 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.53 1vgt s PRO 170 CO -0.10 -0.61 1.71 -0.09 -0.33 0.00 0.00 177.00 177.58 1vgt h ARG 171 N 4.08 -0.00 -0.37 5.54 2.43 -1.01 0.90 114.38 125.94 1vgt h ARG 171 Ca -0.49 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.58 1vgt h ARG 171 Cb 1.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1vgt h ARG 171 CO 0.73 -0.00 -0.18 1.49 -1.51 0.00 0.00 179.97 180.49 1vgt h GLU 172 N -0.00 0.79 -0.40 0.20 4.81 -1.91 0.14 114.58 118.20 1vgt h GLU 172 Ca 0.08 -0.34 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1vgt h GLU 172 Cb 0.12 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1vgt h GLU 172 CO -0.17 0.97 0.24 1.25 -0.73 0.00 0.00 179.01 180.57 1vgt h LEU 173 N 0.58 0.38 -0.14 1.64 5.85 -1.89 0.56 115.31 122.30 1vgt h LEU 173 Ca 0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1vgt h LEU 173 Cb 0.73 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1vgt h LEU 173 CO 0.06 0.28 0.07 0.25 -0.34 0.00 0.00 178.44 178.75 1vgt h LEU 174 N 0.48 0.17 -0.20 2.25 5.85 -0.57 -0.69 115.31 122.61 1vgt h LEU 174 Ca 0.16 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1vgt h LEU 174 Cb 0.00 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1vgt h LEU 174 CO -0.07 0.23 -0.21 -0.74 -0.34 0.00 0.00 178.44 177.31 1vgt h HIS 175 N 0.11 -0.54 -0.70 1.25 2.76 -0.66 -0.60 115.15 116.77 1vgt h HIS 175 Ca 0.05 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1vgt h HIS 175 Cb 0.10 0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1vgt h HIS 175 CO -0.04 -0.28 0.35 -0.44 -1.30 0.00 0.00 177.93 176.22 1vgt h ASP 176 N -0.23 0.91 -0.34 3.26 3.32 -0.65 -1.40 116.42 121.29 1vgt h ASP 176 Ca 0.12 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1vgt h ASP 176 Cb 0.41 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1vgt h ASP 176 CO -0.33 0.78 -0.29 0.00 -1.72 0.00 0.00 179.24 177.68 1vgt h LEU 178 N 0.57 0.66 -0.13 0.00 3.38 -1.00 -0.66 115.31 118.14 1vgt h LEU 178 Ca 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1vgt h LEU 178 Cb 0.86 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1vgt h LEU 178 CO 0.07 0.71 0.02 0.74 0.09 0.00 0.00 178.44 180.07 1vgt h THR 179 N 0.66 1.22 -0.39 0.22 2.02 -1.07 -1.42 112.91 114.15 1vgt h THR 179 Ca 0.14 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.65 1vgt h THR 179 Cb 0.37 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1vgt h THR 179 CO 0.01 0.21 0.15 0.03 0.37 0.00 0.00 175.52 176.29 1vgt h ARG 180 N -0.02 0.31 -0.56 6.66 3.08 -0.77 -0.17 114.38 122.91 1vgt h ARG 180 Ca 0.04 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1vgt h ARG 180 Cb 0.30 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 1vgt h ARG 180 CO 0.00 0.20 0.17 0.00 -1.07 0.00 0.00 179.97 179.27 1vgt h ALA 181 N 1.24 0.68 -0.11 0.04 0.00 -0.91 -0.23 119.26 119.97 1vgt h ALA 181 Ca 0.18 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1vgt h ALA 181 Cb 0.14 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1vgt h ALA 181 CO -0.17 -0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 178.71 1vgt h LEU 182 N 0.32 0.24 -2.19 0.00 3.38 -1.02 -0.03 115.31 116.01 1vgt h LEU 182 Ca 0.28 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1vgt h LEU 182 Cb 0.36 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1vgt h LEU 182 CO -0.32 0.60 -0.02 0.78 0.09 0.00 0.00 178.44 179.57 1vgt h ASN 183 N -0.13 0.00 -0.59 -0.43 2.35 -0.64 -1.68 115.58 114.45 1vgt h ASN 183 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1vgt h ASN 183 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1vgt h ASN 183 CO 0.02 0.02 0.00 -0.62 -1.65 0.00 0.00 177.43 175.20 1vgt n GLU 184 N -4.13 2.68 -3.71 0.81 1.02 -0.13 -4.97 120.64 112.21 1vgt n GLU 184 Ca -0.03 -2.46 -0.25 0.00 -0.02 0.00 0.00 57.16 54.40 1vgt n GLU 184 Cb 0.11 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.09 1vgt n GLU 184 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vgt n GLY 185 N 1.38 -0.46 3.78 0.62 0.00 -0.63 -4.97 105.19 104.91 1vgt n GLY 185 Ca 0.21 0.19 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 1vgt n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vgt s ALA 186 N -3.39 3.26 -0.40 4.61 0.00 -0.05 -5.01 121.76 120.77 1vgt s ALA 186 Ca 0.43 0.50 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 1vgt s ALA 186 Cb -0.20 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1vgt s ALA 186 CO 0.78 0.20 0.63 -0.08 0.00 0.00 0.00 175.76 177.29 1vgt s THR 187 N -1.51 4.87 0.33 0.00 -1.32 -1.26 -4.80 115.64 111.95 1vgt s THR 187 Ca 0.47 0.28 0.10 0.00 -1.21 0.00 0.00 61.69 61.33 1vgt s THR 187 Cb -0.20 -4.14 -0.06 0.00 -1.51 0.00 0.00 72.50 66.59 1vgt s THR 187 CO 0.25 -0.47 -0.12 0.27 -2.21 0.00 0.00 174.62 172.34 1vgt s ILE 188 N 2.74 2.31 0.00 5.08 -4.36 -1.26 -5.03 121.20 120.68 1vgt s ILE 188 Ca 0.23 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1vgt s ILE 188 Cb -0.14 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1vgt s ILE 188 CO 0.17 -0.25 0.00 0.35 0.24 0.00 0.00 174.94 175.45 1vgt n THR 189 N -0.75 0.00 -2.79 8.37 -2.24 -1.26 -5.07 114.28 110.54 1vgt n THR 189 Ca -0.05 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.51 1vgt n THR 189 Cb 0.63 -0.50 0.09 0.00 -2.10 0.00 0.00 70.33 68.45 1vgt n THR 189 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1vgt s ASP 190 N 0.09 4.67 0.32 3.42 -4.77 -1.26 -4.96 116.67 114.18 1vgt s ASP 190 Ca 0.00 -0.59 0.06 0.00 -3.30 0.00 0.00 52.55 48.72 1vgt s ASP 190 Cb 0.00 0.15 0.55 0.00 -1.09 0.00 0.00 42.92 42.53 1vgt s ASP 190 CO 0.00 -1.64 1.79 -0.33 0.70 0.00 0.00 175.17 175.69 1vgt h GLU 191 N -0.22 0.35 -0.51 2.11 3.07 -1.98 -2.52 114.58 114.88 1vgt h GLU 191 Ca -0.33 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.40 1vgt h GLU 191 Cb 1.28 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 1vgt h GLU 191 CO 0.40 0.57 0.26 0.00 -1.40 0.00 0.00 179.01 178.83 1vgt h ALA 192 N 1.45 1.50 -0.30 3.43 0.00 -1.97 -1.61 119.26 121.75 1vgt h ALA 192 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1vgt h ALA 192 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1vgt h ALA 192 CO 0.04 0.41 0.04 0.66 0.00 0.00 0.00 179.25 180.40 1vgt h SER 193 N 0.71 0.41 -0.11 0.00 4.64 -1.83 0.14 113.55 117.51 1vgt h SER 193 Ca 0.18 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1vgt h SER 193 Cb 0.05 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1vgt h SER 193 CO -0.03 0.45 0.01 0.00 -0.87 0.00 0.00 176.83 176.39 1vgt h ALA 194 N 1.61 0.14 -0.72 5.18 0.00 -1.25 -0.22 119.26 124.00 1vgt h ALA 194 Ca 0.10 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1vgt h ALA 194 Cb 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1vgt h ALA 194 CO 0.00 -0.18 0.45 -0.07 0.00 0.00 0.00 179.25 179.45 1vgt h LEU 195 N -0.08 0.72 -0.39 0.00 -0.00 -0.80 -2.11 115.31 112.66 1vgt h LEU 195 Ca 0.03 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1vgt h LEU 195 Cb 0.33 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 1vgt h LEU 195 CO 0.00 0.49 0.26 -0.33 -0.00 0.00 0.00 178.44 178.86 1vgt h GLU 196 N 0.86 0.51 -0.87 1.13 5.08 -0.70 -0.10 114.58 120.50 1vgt h GLU 196 Ca 0.30 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.77 1vgt h GLU 196 Cb 0.06 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 1vgt h GLU 196 CO -0.13 0.34 0.56 -0.92 -1.00 0.00 0.00 179.01 177.86 1vgt h TYR 197 N 0.52 0.78 -0.02 4.33 5.03 -0.56 0.40 116.97 127.46 1vgt h TYR 197 Ca 0.14 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1vgt h TYR 197 Cb -0.05 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 37.98 1vgt h TYR 197 CO -0.05 0.30 0.00 0.00 -1.32 0.00 0.00 178.16 177.08 1vgt n GLY 199 N 0.94 0.97 3.95 0.00 0.00 0.13 -5.08 105.19 106.11 1vgt n GLY 199 Ca 0.19 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1vgt n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vgt s PHE 200 N -2.00 2.91 -0.51 1.61 0.08 -0.11 -4.99 117.98 114.97 1vgt s PHE 200 Ca 0.00 -0.34 0.05 0.00 0.12 0.00 0.00 56.93 56.76 1vgt s PHE 200 Cb 0.00 -2.11 0.18 0.00 -0.57 0.00 0.00 43.02 40.52 1vgt s PHE 200 CO 0.00 -0.12 0.42 0.72 -0.10 0.00 0.00 175.22 176.14 1vgt n HIS 201 N -1.64 0.61 -1.64 0.36 8.25 -1.26 -3.90 115.22 116.00 1vgt n HIS 201 Ca 0.03 -3.67 -0.37 0.00 -0.26 0.00 0.00 57.72 53.44 1vgt n HIS 201 Cb 0.59 -0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.67 1vgt n HIS 201 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1vgt n PRO 202 N 2.37 0.91 -2.34 -0.41 -0.02 -1.26 -4.95 135.00 129.30 1vgt n PRO 202 Ca 0.26 0.36 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 1vgt n PRO 202 Cb 0.44 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1vgt n PRO 202 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1vgt s GLN 203 N -2.95 3.64 -0.38 -0.52 -1.52 -0.29 -4.85 119.66 112.79 1vgt s GLN 203 Ca 0.78 1.61 -0.13 0.00 -1.95 0.00 0.00 55.36 55.67 1vgt s GLN 203 Cb -0.40 -2.20 0.01 0.00 -0.22 0.00 0.00 33.01 30.20 1vgt s GLN 203 CO 0.45 -0.61 0.26 -0.51 -0.25 0.00 0.00 175.29 174.63 1vgt s LEU 204 N -3.38 4.81 -0.32 2.90 1.43 -1.26 -1.17 118.68 121.68 1vgt s LEU 204 Ca 0.67 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1vgt s LEU 204 Cb -0.24 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 1vgt s LEU 204 CO 0.28 -0.36 0.19 -0.69 0.23 0.00 0.00 176.35 176.00 1vgt s VAL 205 N 1.67 4.89 0.09 -1.59 1.01 0.14 -4.97 120.40 121.65 1vgt s VAL 205 Ca 0.05 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 1vgt s VAL 205 Cb -0.18 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 1vgt s VAL 205 CO 0.09 0.03 1.54 -0.70 0.00 0.00 0.00 175.10 176.07 1vgt s GLU 206 N 1.66 4.24 0.38 2.72 2.12 -1.26 -0.95 118.70 127.61 1vgt s GLU 206 Ca 0.05 2.23 0.05 0.00 0.36 0.00 0.00 54.97 57.67 1vgt s GLU 206 Cb -0.17 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 30.75 1vgt s GLU 206 CO 0.08 -0.62 0.03 0.20 -0.54 0.00 0.00 175.26 174.42 1vgt s GLY 207 N 1.73 2.38 0.34 -1.50 0.00 -0.20 -4.82 107.32 105.25 1vgt s GLY 207 Ca 0.70 -2.03 -0.29 0.00 0.00 0.00 0.00 44.72 43.10 1vgt s GLY 207 CO 0.31 -1.98 1.39 0.50 0.00 0.00 0.00 173.10 173.31 1vgt s ARG 208 N -3.79 4.25 0.20 2.90 0.52 -1.26 -4.59 118.95 117.18 1vgt s ARG 208 Ca 0.33 2.36 0.23 0.00 -0.52 0.00 0.00 55.73 58.13 1vgt s ARG 208 Cb 0.09 -3.04 0.91 0.00 0.52 0.00 0.00 34.95 33.43 1vgt s ARG 208 CO 0.16 -0.34 1.70 0.00 0.02 0.00 0.00 175.30 176.84 1vgt n ALA 209 N 0.83 1.81 1.66 2.13 0.00 -1.26 -2.69 120.51 122.99 1vgt n ALA 209 Ca 0.01 0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1vgt n ALA 209 Cb 0.41 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 18.63 1vgt n ALA 209 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vgt n ASP 210 N -2.12 0.60 -3.69 0.00 3.85 -1.26 -4.27 116.55 109.67 1vgt n ASP 210 Ca 0.03 -1.88 -0.42 0.00 -0.71 0.00 0.00 54.79 51.82 1vgt n ASP 210 Cb 0.26 -0.07 -0.00 0.00 -1.35 0.00 0.00 41.12 39.97 1vgt n ASP 210 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1vgt n ASN 211 N -0.23 5.58 -4.89 -1.12 5.15 -1.09 -4.75 115.26 113.91 1vgt n ASN 211 Ca 0.07 -2.96 -0.30 0.00 -0.60 0.00 0.00 54.58 50.79 1vgt n ASN 211 Cb 0.11 -1.53 0.01 0.00 -0.53 0.00 0.00 39.78 37.84 1vgt n ASN 211 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1vgt s ILE 212 N 1.32 4.65 -0.20 -1.44 -4.36 -1.26 -4.88 121.20 115.03 1vgt s ILE 212 Ca 0.48 0.58 -0.10 0.00 -0.26 0.00 0.00 60.65 61.35 1vgt s ILE 212 Cb 0.13 -3.82 -0.05 0.00 1.25 0.00 0.00 42.46 39.97 1vgt s ILE 212 CO -0.05 -0.98 0.13 -0.75 0.24 0.00 0.00 174.94 173.53 1vgt s LYS 213 N -5.04 4.18 -0.57 0.37 2.20 -1.26 -4.27 119.74 115.35 1vgt s LYS 213 Ca 0.53 -0.22 -0.24 0.00 -0.36 0.00 0.00 55.97 55.67 1vgt s LYS 213 Cb -0.11 -3.42 0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1vgt s LYS 213 CO 0.50 0.29 0.96 0.08 -0.36 0.00 0.00 175.35 176.83 1vgt s VAL 214 N 0.38 4.35 0.00 4.02 1.01 0.39 -4.80 120.40 125.75 1vgt s VAL 214 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1vgt s VAL 214 Cb -0.11 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1vgt s VAL 214 CO -0.02 -1.18 0.00 0.35 0.00 0.00 0.00 175.10 174.25 1vgt n THR 215 N 6.18 0.00 -4.37 3.92 -2.24 -1.26 -4.55 114.28 111.96 1vgt n THR 215 Ca 0.01 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 1vgt n THR 215 Cb 0.47 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 1vgt n THR 215 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1vgt s ARG 216 N -1.77 1.40 0.48 -0.78 1.81 -1.26 -4.91 118.95 113.91 1vgt s ARG 216 Ca 0.00 -1.64 0.18 0.00 -1.72 0.00 0.00 55.73 52.54 1vgt s ARG 216 Cb 0.00 -1.15 1.19 0.00 -0.45 0.00 0.00 34.95 34.54 1vgt s ARG 216 CO 0.00 0.15 2.02 -1.00 -0.68 0.00 0.00 175.30 175.79 1vgt h PRO 217 N 2.48 0.20 0.00 3.54 0.13 -2.02 -1.30 132.00 135.02 1vgt h PRO 217 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1vgt h PRO 217 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1vgt h PRO 217 CO 0.63 0.13 0.00 1.05 -0.23 0.00 0.00 178.00 179.58 1vgt h GLU 218 N 0.20 0.00 0.00 0.86 9.09 -2.03 -3.13 114.58 119.57 1vgt h GLU 218 Ca 0.22 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.59 1vgt h GLU 218 Cb 0.59 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.68 1vgt h GLU 218 CO -0.04 0.00 -0.17 -0.44 0.05 0.00 0.00 179.01 178.42 1vgt h ASP 219 N 0.00 0.00 -0.35 3.06 3.32 -1.62 -3.09 116.42 117.74 1vgt h ASP 219 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1vgt h ASP 219 Cb 0.77 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1vgt h ASP 219 CO 0.00 0.17 0.15 0.25 -1.72 0.00 0.00 179.24 178.09 1vgt h LEU 220 N 0.00 0.46 -0.71 1.55 5.85 -1.67 0.55 115.31 121.35 1vgt h LEU 220 Ca -0.00 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.45 1vgt h LEU 220 Cb 0.47 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1vgt h LEU 220 CO 0.02 0.48 -0.29 0.00 -0.34 0.00 0.00 178.44 178.32 1vgt h ALA 221 N 1.00 0.89 -0.35 1.25 0.00 -1.74 -1.42 119.26 118.89 1vgt h ALA 221 Ca 0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1vgt h ALA 221 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1vgt h ALA 221 CO -0.01 0.63 0.14 1.25 0.00 0.00 0.00 179.25 181.25 1vgt h LEU 222 N 0.59 0.48 -0.84 0.00 6.46 -1.55 -0.68 115.31 119.77 1vgt h LEU 222 Ca 0.07 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1vgt h LEU 222 Cb 0.78 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 1vgt h LEU 222 CO 0.06 0.51 0.55 0.00 -0.62 0.00 0.00 178.44 178.95 1vgt h ALA 223 N 0.98 1.07 -0.32 1.25 0.00 -0.75 -1.66 119.26 119.83 1vgt h ALA 223 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vgt h ALA 223 Cb 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1vgt h ALA 223 CO -0.01 0.48 0.21 1.49 0.00 0.00 0.00 179.25 181.42 1vgt h GLU 224 N 1.14 0.43 -0.46 0.00 4.81 -0.85 0.57 114.58 120.21 1vgt h GLU 224 Ca 0.31 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.58 1vgt h GLU 224 Cb -0.12 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.11 1vgt h GLU 224 CO -0.06 0.29 0.10 0.35 -0.73 0.00 0.00 179.01 178.96 1vgt h PHE 225 N 0.43 0.16 -0.56 0.92 3.04 -0.89 -0.99 116.94 119.06 1vgt h PHE 225 Ca 0.12 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.03 1vgt h PHE 225 Cb -0.04 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 1vgt h PHE 225 CO -0.05 0.01 0.07 1.88 -2.02 0.00 0.00 178.31 178.20 1vgt h TYR 226 N 0.24 0.95 -0.43 0.41 0.99 -0.84 -2.31 116.97 115.98 1vgt h TYR 226 Ca 0.23 -0.12 -0.06 0.00 2.00 0.00 0.00 58.73 60.78 1vgt h TYR 226 Cb 0.29 -0.27 -0.02 0.00 1.00 0.00 0.00 36.73 37.74 1vgt h TYR 226 CO -0.21 0.82 0.04 -0.07 -0.00 0.00 0.00 178.16 178.75 1vgt h LEU 227 N 0.85 0.70 -2.19 3.88 3.38 -0.08 -0.40 115.31 121.45 1vgt h LEU 227 Ca 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1vgt h LEU 227 Cb 0.40 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1vgt h LEU 227 CO 0.01 0.80 -0.04 0.74 0.09 0.00 0.00 178.44 180.04 1vgt h THR 228 N 0.57 0.68 0.00 0.22 2.02 -1.10 -3.51 112.91 111.79 1vgt h THR 228 Ca 0.13 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1vgt h THR 228 Cb 0.42 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1vgt h THR 228 CO 0.01 0.04 0.00 0.54 0.37 0.00 0.00 175.52 176.49