#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vae s ILE 8 N 0.00 5.10 0.80 1.55 1.01 -1.26 -5.03 121.20 123.37 2vae s ILE 8 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 2vae s ILE 8 Cb 0.00 -4.06 0.08 0.00 0.01 0.00 0.00 42.46 38.49 2vae s ILE 8 CO 0.00 -0.47 1.17 -0.54 0.00 0.00 0.00 174.94 175.10 2vae s LYS 9 N 2.09 1.94 0.54 2.79 -0.14 -1.26 -4.97 119.74 120.74 2vae s LYS 9 Ca 0.11 0.05 0.27 0.00 -1.36 0.00 0.00 55.97 55.04 2vae s LYS 9 Cb -0.18 -1.97 1.53 0.00 -1.68 0.00 0.00 37.83 35.52 2vae s LYS 9 CO 0.12 -1.58 2.12 0.93 -0.76 0.00 0.00 175.35 176.18 2vae h GLU 10 N -1.02 0.00 -4.82 1.68 5.08 -1.97 -3.41 114.58 110.12 2vae h GLU 10 Ca -0.46 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.33 2vae h GLU 10 Cb 1.33 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.24 2vae h GLU 10 CO 0.64 0.09 -0.84 0.12 -1.00 0.00 0.00 179.01 178.03 2vae s PHE 11 N -4.33 1.83 -0.01 4.33 5.36 -1.26 -3.74 117.98 120.17 2vae s PHE 11 Ca -0.03 -0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 55.21 2vae s PHE 11 Cb 0.14 -1.29 0.00 0.00 -0.34 0.00 0.00 43.02 41.53 2vae s PHE 11 CO 0.58 -0.32 0.03 -1.64 -1.46 0.00 0.00 175.22 172.41 2vae s MET 12 N 0.55 0.08 0.27 10.12 -1.94 -0.65 -5.01 119.30 122.72 2vae s MET 12 Ca -0.16 -0.01 0.06 0.00 -1.71 0.00 0.00 55.69 53.86 2vae s MET 12 Cb -0.17 0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.68 2vae s MET 12 CO 0.06 -0.01 0.35 1.03 -0.01 0.00 0.00 175.02 176.43 2vae s ARG 13 N -0.14 3.20 0.05 2.03 0.52 -1.26 -1.50 118.95 121.86 2vae s ARG 13 Ca -0.02 -0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 54.25 2vae s ARG 13 Cb -0.01 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 2vae s ARG 13 CO -0.00 0.31 -0.01 -0.59 0.02 0.00 0.00 175.30 175.03 2vae s PHE 14 N -2.08 0.48 0.01 -0.53 -0.12 -0.05 -1.06 117.98 114.63 2vae s PHE 14 Ca 0.37 -1.02 0.06 0.00 -0.05 0.00 0.00 56.93 56.30 2vae s PHE 14 Cb -0.09 -0.35 -0.02 0.00 -0.63 0.00 0.00 43.02 41.93 2vae s PHE 14 CO 0.28 -0.39 -0.19 0.15 -0.05 0.00 0.00 175.22 175.02 2vae s LYS 15 N -3.89 1.44 0.02 1.99 1.02 0.24 -0.86 119.74 119.70 2vae s LYS 15 Ca 0.07 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.31 2vae s LYS 15 Cb 0.08 -1.45 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 2vae s LYS 15 CO -0.10 0.39 -0.09 0.54 -0.92 0.00 0.00 175.35 175.17 2vae s VAL 16 N -0.60 0.65 -0.02 3.17 0.11 -0.17 -0.48 120.40 123.05 2vae s VAL 16 Ca 0.07 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.48 2vae s VAL 16 Cb -0.08 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2vae s VAL 16 CO 0.00 -0.03 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.54 2vae s ARG 17 N -0.76 0.82 -0.05 1.54 0.52 -0.64 -0.71 118.95 119.68 2vae s ARG 17 Ca -0.01 -0.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.99 2vae s ARG 17 Cb -0.06 -0.78 -0.00 0.00 0.52 0.00 0.00 34.95 34.63 2vae s ARG 17 CO 0.00 0.08 -0.18 1.41 0.02 0.00 0.00 175.30 176.64 2vae s MET 18 N 0.24 1.89 -0.20 3.54 1.75 0.30 -0.80 119.30 126.01 2vae s MET 18 Ca -0.03 -0.63 -0.03 0.00 -1.25 0.00 0.00 55.69 53.74 2vae s MET 18 Cb -0.08 -1.62 -0.01 0.00 2.84 0.00 0.00 34.83 35.96 2vae s MET 18 CO 0.00 0.24 -0.05 -1.21 -0.65 0.00 0.00 175.02 173.35 2vae s GLU 19 N 0.07 3.42 0.23 4.11 2.02 -0.53 -1.18 118.70 126.83 2vae s GLU 19 Ca -0.05 -0.62 -0.01 0.00 0.02 0.00 0.00 54.97 54.32 2vae s GLU 19 Cb -0.12 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 2vae s GLU 19 CO 0.03 -0.09 0.19 0.20 0.02 0.00 0.00 175.26 175.60 2vae s GLY 20 N 1.21 1.52 -0.07 -1.39 0.00 -0.21 -1.99 107.32 106.40 2vae s GLY 20 Ca 0.03 -1.69 -0.09 0.00 0.00 0.00 0.00 44.72 42.97 2vae s GLY 20 CO -0.01 -1.34 0.22 -0.45 0.00 0.00 0.00 173.10 171.52 2vae s SER 21 N -3.19 -0.19 -0.06 1.64 0.15 -0.47 -0.80 113.70 110.78 2vae s SER 21 Ca 0.38 0.32 -0.00 0.00 0.70 0.00 0.00 55.95 57.35 2vae s SER 21 Cb 0.05 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 2vae s SER 21 CO 0.15 -0.16 -0.02 -0.69 1.20 0.00 0.00 173.24 173.71 2vae s VAL 22 N -0.25 0.49 -1.60 4.45 1.01 -0.55 -0.44 120.40 123.50 2vae s VAL 22 Ca -0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 2vae s VAL 22 Cb -0.03 -0.58 0.09 0.00 0.00 0.00 0.00 36.38 35.87 2vae s VAL 22 CO 0.01 0.25 0.56 0.59 0.00 0.00 0.00 175.10 176.51 2vae n ASN 23 N 4.67 -1.73 0.00 3.32 4.13 -0.29 -0.88 115.26 124.48 2vae n ASN 23 Ca -0.15 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.05 2vae n ASN 23 Cb 0.50 -2.63 0.00 0.00 -1.54 0.00 0.00 39.78 36.11 2vae n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vae n GLY 24 N -1.71 1.57 3.55 7.41 0.00 -1.26 -5.00 105.19 109.75 2vae n GLY 24 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2vae n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2vae s HIS 25 N -3.49 3.10 0.24 1.61 5.04 -0.06 -5.06 115.29 116.67 2vae s HIS 25 Ca 0.00 0.20 -0.17 0.00 -1.54 0.00 0.00 55.06 53.55 2vae s HIS 25 Cb 0.00 -3.29 -0.08 0.00 0.04 0.00 0.00 32.58 29.25 2vae s HIS 25 CO 0.00 -0.76 0.69 -1.21 -2.34 0.00 0.00 174.74 171.12 2vae s GLU 26 N 2.84 4.11 0.20 2.88 2.02 -1.26 -1.48 118.70 128.00 2vae s GLU 26 Ca 0.25 0.71 -0.17 0.00 0.02 0.00 0.00 54.97 55.78 2vae s GLU 26 Cb -0.14 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.37 2vae s GLU 26 CO 0.17 0.34 0.53 -0.59 0.02 0.00 0.00 175.26 175.73 2vae s PHE 27 N -1.66 -0.09 0.01 1.61 -0.12 0.02 -4.42 117.98 113.33 2vae s PHE 27 Ca 0.46 -0.26 0.01 0.00 -0.05 0.00 0.00 56.93 57.08 2vae s PHE 27 Cb -0.14 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.63 2vae s PHE 27 CO 0.20 -0.94 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.18 2vae s GLU 28 N -3.89 0.33 0.00 1.99 2.02 -0.29 -1.04 118.70 117.82 2vae s GLU 28 Ca 0.10 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 54.75 2vae s GLU 28 Cb -0.01 -0.19 -0.01 0.00 0.10 0.00 0.00 34.13 34.02 2vae s GLU 28 CO -0.02 0.04 -0.04 0.42 0.02 0.00 0.00 175.26 175.69 2vae s ILE 29 N -0.62 0.28 0.08 -1.63 1.01 -0.33 -0.72 121.20 119.27 2vae s ILE 29 Ca -0.04 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2vae s ILE 29 Cb -0.05 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 2vae s ILE 29 CO -0.00 -0.00 -0.12 -1.61 0.00 0.00 0.00 174.94 173.20 2vae s GLU 30 N -0.31 0.81 0.22 2.79 2.02 -0.22 -0.54 118.70 123.48 2vae s GLU 30 Ca -0.01 -1.02 -0.21 0.00 0.02 0.00 0.00 54.97 53.76 2vae s GLU 30 Cb -0.03 -0.68 0.07 0.00 0.10 0.00 0.00 34.13 33.60 2vae s GLU 30 CO -0.00 0.13 1.00 0.41 0.02 0.00 0.00 175.26 176.82 2vae n GLY 31 N 1.01 0.66 3.17 -1.39 0.00 0.11 -0.28 105.19 108.46 2vae n GLY 31 Ca -0.19 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 2vae n GLY 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2vae s GLU 32 N -2.06 0.68 0.34 1.61 -1.05 -0.67 -1.00 118.70 116.55 2vae s GLU 32 Ca 0.22 -0.71 -0.05 0.00 -0.15 0.00 0.00 54.97 54.28 2vae s GLU 32 Cb -0.03 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.95 2vae s GLU 32 CO 0.07 -0.19 0.52 0.20 0.95 0.00 0.00 175.26 176.81 2vae s GLY 33 N -2.19 1.27 0.18 -3.83 0.00 -0.04 -0.38 107.32 102.33 2vae s GLY 33 Ca -0.04 -1.37 -0.23 0.00 0.00 0.00 0.00 44.72 43.09 2vae s GLY 33 CO -0.05 -0.88 0.63 -1.83 0.00 0.00 0.00 173.10 170.97 2vae s GLU 34 N -3.00 1.36 0.00 2.90 -1.05 -0.47 -0.87 118.70 117.57 2vae s GLU 34 Ca 0.28 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 2vae s GLU 34 Cb -0.01 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 2vae s GLU 34 CO 0.18 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 176.20 2vae n GLY 35 N -0.39 -1.10 2.93 -3.83 0.00 -0.56 -0.59 105.19 101.65 2vae n GLY 35 Ca -0.14 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 2vae n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vae s ARG 36 N -0.42 1.58 0.52 1.61 1.81 -0.12 -1.64 118.95 122.29 2vae s ARG 36 Ca 0.00 -2.11 0.21 0.00 -1.72 0.00 0.00 55.73 52.11 2vae s ARG 36 Cb 0.00 -3.03 1.37 0.00 -0.45 0.00 0.00 34.95 32.84 2vae s ARG 36 CO 0.00 -1.04 2.12 -1.35 -0.68 0.00 0.00 175.30 174.35 2vae h PRO 37 N 7.11 0.00 0.00 3.54 0.11 -1.79 -1.05 132.00 139.92 2vae h PRO 37 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2vae h PRO 37 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2vae h PRO 37 CO 0.58 0.07 -0.38 0.66 -0.21 0.00 0.00 178.00 178.72 2vae n TYR 38 N -4.14 0.08 0.65 0.65 4.02 -1.26 -3.85 117.16 113.31 2vae n TYR 38 Ca -0.03 0.02 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 2vae n TYR 38 Cb 0.16 -0.37 -0.12 0.00 -0.02 0.00 0.00 39.34 38.99 2vae n TYR 38 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2vae n GLU 39 N -1.58 0.71 -1.29 -0.72 1.02 -0.48 -4.64 120.64 113.66 2vae n GLU 39 Ca 0.06 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2vae n GLU 39 Cb 0.35 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2vae n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vae n GLY 40 N 1.43 0.49 3.18 0.62 0.00 -0.71 -4.65 105.19 105.55 2vae n GLY 40 Ca 0.02 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 2vae n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vae s THR 41 N -2.00 1.35 0.07 2.61 -4.23 -1.21 -0.65 115.64 111.58 2vae s THR 41 Ca 0.00 -0.99 -0.26 0.00 -1.18 0.00 0.00 61.69 59.27 2vae s THR 41 Cb 0.00 -1.17 0.08 0.00 1.34 0.00 0.00 72.50 72.75 2vae s THR 41 CO 0.00 0.17 0.71 0.00 -0.54 0.00 0.00 174.62 174.96 2vae s GLN 42 N -0.95 1.09 0.21 3.99 -2.07 -0.60 -0.95 119.66 120.38 2vae s GLN 42 Ca 0.05 -0.31 0.09 0.00 -1.82 0.00 0.00 55.36 53.37 2vae s GLN 42 Cb -0.08 0.50 -0.05 0.00 -1.09 0.00 0.00 33.01 32.30 2vae s GLN 42 CO 0.01 -0.46 -0.17 0.95 -1.32 0.00 0.00 175.29 174.30 2vae s THR 43 N -3.15 1.95 0.02 3.63 -4.23 0.24 -1.13 115.64 112.97 2vae s THR 43 Ca 0.01 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 2vae s THR 43 Cb -0.01 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 2vae s THR 43 CO -0.09 -0.46 -0.00 0.00 -0.54 0.00 0.00 174.62 173.53 2vae s ALA 44 N -2.57 0.06 -0.13 3.99 0.00 -0.68 -1.37 121.76 121.06 2vae s ALA 44 Ca 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2vae s ALA 44 Cb -0.03 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2vae s ALA 44 CO 0.09 -0.18 -0.11 0.21 0.00 0.00 0.00 175.76 175.77 2vae s LYS 45 N -1.54 1.89 0.12 0.00 2.20 0.49 -0.86 119.74 122.04 2vae s LYS 45 Ca -0.15 -0.40 0.09 0.00 -0.36 0.00 0.00 55.97 55.15 2vae s LYS 45 Cb -0.09 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 2vae s LYS 45 CO -0.01 -0.23 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.06 2vae s LEU 46 N 1.53 2.70 -0.03 5.43 2.01 0.50 -1.67 118.68 129.15 2vae s LEU 46 Ca 0.03 -0.56 0.01 0.00 0.01 0.00 0.00 54.13 53.62 2vae s LEU 46 Cb -0.13 -1.54 0.02 0.00 0.01 0.00 0.00 46.19 44.55 2vae s LEU 46 CO -0.08 0.18 -0.03 -0.54 1.01 0.00 0.00 176.35 176.88 2vae s LYS 47 N -2.15 0.54 -0.19 1.70 1.02 0.61 -1.38 119.74 119.89 2vae s LYS 47 Ca 0.18 -0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.82 2vae s LYS 47 Cb -0.11 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 2vae s LYS 47 CO 0.10 -0.06 1.21 0.08 -0.92 0.00 0.00 175.35 175.77 2vae s VAL 48 N 0.71 4.37 -0.06 3.17 1.01 0.14 -1.06 120.40 128.69 2vae s VAL 48 Ca -0.08 1.65 0.20 0.00 0.00 0.00 0.00 61.98 63.75 2vae s VAL 48 Cb -0.11 -4.08 -0.31 0.00 0.00 0.00 0.00 36.38 31.87 2vae s VAL 48 CO -0.01 -0.17 0.39 0.35 0.00 0.00 0.00 175.10 175.66 2vae n THR 49 N 5.42 0.24 -3.78 3.92 -2.24 0.10 -4.86 114.28 113.08 2vae n THR 49 Ca 0.13 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 2vae n THR 49 Cb 0.45 -0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.49 2vae n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2vae s LYS 50 N -3.27 0.27 0.00 -0.78 2.20 -1.07 -4.91 119.74 112.18 2vae s LYS 50 Ca -0.08 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 2vae s LYS 50 Cb 0.12 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2vae s LYS 50 CO 0.85 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 176.20 2vae n GLY 51 N 3.14 0.68 3.91 5.54 0.00 -1.26 -1.14 105.19 116.05 2vae n GLY 51 Ca -0.15 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 2vae n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vae s GLY 52 N -2.10 1.71 0.44 -0.02 0.00 -1.26 -4.10 107.32 101.99 2vae s GLY 52 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 44.72 43.94 2vae s GLY 52 CO 0.00 -0.43 1.10 2.56 0.00 0.00 0.00 173.10 176.33 2vae s PRO 53 N -3.95 3.93 0.28 2.90 0.04 -1.26 -5.11 135.00 131.82 2vae s PRO 53 Ca 0.45 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2vae s PRO 53 Cb -0.10 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 2vae s PRO 53 CO 0.34 -0.37 1.19 -0.51 0.04 0.00 0.00 177.00 177.69 2vae s LEU 54 N -2.91 4.49 -0.09 -3.56 1.43 -1.26 -4.94 118.68 111.85 2vae s LEU 54 Ca 0.61 2.40 0.06 0.00 -1.03 0.00 0.00 54.13 56.18 2vae s LEU 54 Cb -0.25 -3.63 0.33 0.00 0.03 0.00 0.00 46.19 42.68 2vae s LEU 54 CO 0.30 -0.31 1.02 -0.81 0.23 0.00 0.00 176.35 176.79 2vae n PRO 55 N 1.30 2.55 -4.14 1.29 -0.04 -1.26 -4.90 135.00 129.80 2vae n PRO 55 Ca 0.00 -1.28 -0.11 0.00 -0.04 0.00 0.00 63.50 62.07 2vae n PRO 55 Cb 0.44 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 2vae n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2vae s PHE 56 N -1.71 0.91 0.15 0.54 -0.12 -1.26 -4.66 117.98 111.82 2vae s PHE 56 Ca 0.22 -1.17 -0.31 0.00 -0.05 0.00 0.00 56.93 55.61 2vae s PHE 56 Cb 0.17 -0.32 -0.11 0.00 -0.63 0.00 0.00 43.02 42.13 2vae s PHE 56 CO 0.07 -0.75 1.72 0.00 -0.05 0.00 0.00 175.22 176.21 2vae s ALA 57 N -4.11 3.81 0.34 1.99 0.00 0.17 -4.90 121.76 119.06 2vae s ALA 57 Ca 0.34 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.81 2vae s ALA 57 Cb 0.05 -3.71 0.74 0.00 0.00 0.00 0.00 23.12 20.20 2vae s ALA 57 CO 0.11 -1.03 1.88 2.35 0.00 0.00 0.00 175.76 179.07 2vae h TRP 58 N 7.66 0.88 -1.07 0.00 2.91 -1.95 -2.97 115.95 121.41 2vae h TRP 58 Ca -0.44 0.02 0.29 0.00 1.13 0.00 0.00 58.89 59.90 2vae h TRP 58 Cb 1.21 -0.28 -0.08 0.00 -0.51 0.00 0.00 29.16 29.50 2vae h TRP 58 CO 0.72 0.36 0.72 -0.44 -1.03 0.00 0.00 178.44 178.77 2vae h ASP 59 N 0.78 0.28 0.92 2.65 3.32 -1.94 0.19 116.42 122.62 2vae h ASP 59 Ca 0.43 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.54 2vae h ASP 59 Cb 0.58 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2vae h ASP 59 CO -0.20 0.05 0.00 0.16 -1.72 0.00 0.00 179.24 177.53 2vae h ILE 60 N 0.25 0.00 0.00 0.35 3.07 -1.93 -2.94 117.51 116.31 2vae h ILE 60 Ca 0.58 -0.45 -0.09 0.00 1.55 0.00 0.00 64.86 66.45 2vae h ILE 60 Cb 1.76 1.43 -0.02 0.00 -0.27 0.00 0.00 36.82 39.72 2vae h ILE 60 CO -0.19 0.00 -1.25 0.18 -1.05 0.00 0.00 178.15 175.84 2vae n LEU 61 N -3.01 0.83 -0.36 0.16 4.77 0.64 -4.54 117.00 115.49 2vae n LEU 61 Ca 0.00 0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 56.31 2vae n LEU 61 Cb 0.28 0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.51 2vae n LEU 61 CO 0.26 -0.01 1.29 0.77 -1.33 0.00 0.00 177.39 178.37 2vae h SER 62 N 0.00 1.12 0.00 -1.43 4.64 -1.33 -0.27 113.55 116.28 2vae h SER 62 Ca -0.09 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2vae h SER 62 Cb 1.31 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2vae h SER 62 CO 0.02 0.81 0.00 -2.65 -0.87 0.00 0.00 176.83 174.14 2vae n PRO 63 N -4.39 0.87 0.00 4.77 -0.02 -1.26 -2.88 135.00 132.09 2vae n PRO 63 Ca 0.12 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.70 2vae n PRO 63 Cb 0.01 -1.24 -0.09 0.00 -0.02 0.00 0.00 33.50 32.16 2vae n PRO 63 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2vae n GLN 64 N -0.74 0.23 -1.53 -0.52 1.13 -0.12 -4.82 117.38 111.01 2vae n GLN 64 Ca 0.10 -0.05 -0.31 0.00 -1.94 0.00 0.00 57.00 54.79 2vae n GLN 64 Cb 0.05 -1.52 -0.05 0.00 0.11 0.00 0.00 30.24 28.82 2vae n GLN 64 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2vae n PHE 65 N -1.79 1.81 0.00 1.08 3.72 -1.14 -5.00 117.46 116.14 2vae n PHE 65 Ca 0.02 -2.40 0.00 0.00 -0.05 0.00 0.00 57.45 55.02 2vae n PHE 65 Cb 0.41 -1.81 0.00 0.00 -0.94 0.00 0.00 39.48 37.15 2vae n PHE 65 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2vae n SER 69 N 2.02 0.00 -0.14 4.37 2.88 -1.26 -5.07 113.62 116.42 2vae n SER 69 Ca 0.59 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.22 2vae n SER 69 Cb 0.45 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.42 2vae n SER 69 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2vae n LYS 70 N 0.00 1.18 0.24 -1.46 4.76 -1.26 -2.20 118.16 119.42 2vae n LYS 70 Ca 0.00 -0.27 0.16 0.00 -2.87 0.00 0.00 58.31 55.33 2vae n LYS 70 Cb 0.00 -1.32 0.75 0.00 -1.84 0.00 0.00 35.03 32.62 2vae n LYS 70 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2vae h VAL 71 N 0.56 0.00 -1.37 -0.18 3.04 -1.97 -3.11 116.25 113.22 2vae h VAL 71 Ca 0.00 -0.25 -0.69 0.00 -1.01 0.00 0.00 66.70 64.75 2vae h VAL 71 Cb 0.12 1.10 -0.27 0.00 -2.01 0.00 0.00 31.29 30.24 2vae h VAL 71 CO 0.00 0.00 0.91 -1.22 -1.01 0.00 0.00 177.57 176.25 2vae n TYR 72 N -2.75 2.97 -3.88 3.17 4.01 -0.94 -4.79 117.16 114.95 2vae n TYR 72 Ca -0.00 -2.65 -0.36 0.00 -0.16 0.00 0.00 57.90 54.73 2vae n TYR 72 Cb 0.19 -1.32 -0.12 0.00 -0.31 0.00 0.00 39.34 37.78 2vae n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2vae s VAL 73 N -4.68 4.38 0.01 -0.72 1.01 -1.18 -4.12 120.40 115.11 2vae s VAL 73 Ca 0.58 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 2vae s VAL 73 Cb 0.46 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 2vae s VAL 73 CO -0.18 0.38 1.65 -0.75 0.00 0.00 0.00 175.10 176.20 2vae s LYS 74 N 1.21 4.19 -0.05 2.72 2.20 -0.78 -4.78 119.74 124.46 2vae s LYS 74 Ca 0.04 2.27 0.05 0.00 -0.36 0.00 0.00 55.97 57.97 2vae s LYS 74 Cb -0.14 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.37 2vae s LYS 74 CO 0.03 -0.78 -0.20 -1.01 -0.36 0.00 0.00 175.35 173.03 2vae s HIS 75 N 3.29 2.53 0.76 4.03 3.76 -1.26 0.21 115.29 128.61 2vae s HIS 75 Ca 0.74 -0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 55.11 2vae s HIS 75 Cb -0.37 -1.60 0.05 0.00 1.11 0.00 0.00 32.58 31.77 2vae s HIS 75 CO 0.31 -0.02 1.10 -1.25 -0.85 0.00 0.00 174.74 174.04 2vae s PRO 76 N -0.46 2.27 0.58 8.40 0.04 -1.26 -4.92 135.00 139.65 2vae s PRO 76 Ca 0.05 1.26 0.28 0.00 0.04 0.00 0.00 61.00 62.63 2vae s PRO 76 Cb -0.12 -1.89 1.62 0.00 0.04 0.00 0.00 34.50 34.15 2vae s PRO 76 CO 0.01 -1.65 2.11 0.00 0.04 0.00 0.00 177.00 177.51 2vae h ALA 77 N -0.92 1.86 -0.07 8.56 0.00 -2.00 -2.46 119.26 124.22 2vae h ALA 77 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2vae h ALA 77 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2vae h ALA 77 CO 0.51 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 2vae n ASP 78 N -3.91 1.74 -4.21 0.00 5.75 -1.26 -4.67 116.55 109.99 2vae n ASP 78 Ca 0.02 -1.61 -0.35 0.00 -0.01 0.00 0.00 54.79 52.83 2vae n ASP 78 Cb 0.32 -0.04 -0.14 0.00 -1.03 0.00 0.00 41.12 40.23 2vae n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2vae s ILE 79 N -1.92 3.11 0.11 2.12 1.01 -0.93 -5.02 121.20 119.68 2vae s ILE 79 Ca 0.36 -1.17 -0.35 0.00 0.00 0.00 0.00 60.65 59.49 2vae s ILE 79 Cb 0.20 -2.70 -0.15 0.00 0.01 0.00 0.00 42.46 39.82 2vae s ILE 79 CO 0.31 0.01 1.48 -2.65 0.00 0.00 0.00 174.94 174.10 2vae n PRO 80 N 4.68 1.70 -3.08 2.79 -0.02 -1.26 -4.64 135.00 135.16 2vae n PRO 80 Ca -0.14 0.61 -0.44 0.00 -2.02 0.00 0.00 63.50 61.51 2vae n PRO 80 Cb 0.45 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2vae n PRO 80 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2vae n ASP 81 N 3.14 5.73 -0.24 2.55 -0.08 -1.26 -4.30 116.55 122.09 2vae n ASP 81 Ca 0.18 -3.15 0.04 0.00 -1.51 0.00 0.00 54.79 50.35 2vae n ASP 81 Cb 0.24 -1.38 0.16 0.00 2.34 0.00 0.00 41.12 42.48 2vae n ASP 81 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 2vae h TYR 82 N 6.25 0.12 -0.54 -0.67 3.20 -1.90 0.24 116.97 123.66 2vae h TYR 82 Ca 0.23 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 2vae h TYR 82 Cb 0.77 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2vae h TYR 82 CO 0.93 -0.15 -0.08 0.87 -1.64 0.00 0.00 178.16 178.09 2vae h LYS 83 N 0.19 1.00 -0.49 1.82 1.57 -1.91 -1.87 116.57 116.87 2vae h LYS 83 Ca 0.39 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2vae h LYS 83 Cb 0.67 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2vae h LYS 83 CO -0.55 1.02 -0.09 0.87 -0.57 0.00 0.00 179.45 180.13 2vae h LYS 84 N 0.89 0.93 0.00 3.15 1.57 -1.55 -2.91 116.57 118.66 2vae h LYS 84 Ca 0.15 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2vae h LYS 84 Cb 0.63 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2vae h LYS 84 CO 0.04 1.00 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.83 2vae h LEU 85 N 0.79 0.00 -1.16 2.94 3.38 -0.70 -2.32 115.31 118.24 2vae h LEU 85 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2vae h LEU 85 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2vae h LEU 85 CO 0.04 0.02 0.00 0.77 0.09 0.00 0.00 178.44 179.37 2vae h SER 86 N 0.00 0.00 -3.86 -0.43 4.64 -1.13 -3.45 113.55 109.33 2vae h SER 86 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2vae h SER 86 Cb 0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2vae h SER 86 CO 0.00 0.00 0.20 -0.36 -0.87 0.00 0.00 176.83 175.80 2vae s PHE 87 N -3.52 3.48 0.06 4.77 0.40 -0.88 -0.37 117.98 121.93 2vae s PHE 87 Ca 0.02 1.15 0.27 0.00 -0.60 0.00 0.00 56.93 57.78 2vae s PHE 87 Cb 0.09 -2.54 0.99 0.00 0.51 0.00 0.00 43.02 42.08 2vae s PHE 87 CO 0.47 -0.22 1.85 -1.00 0.70 0.00 0.00 175.22 177.02 2vae h PRO 88 N 1.00 0.00 -0.36 0.24 0.13 -1.88 -3.45 132.00 127.68 2vae h PRO 88 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2vae h PRO 88 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2vae h PRO 88 CO 0.63 0.13 0.18 1.49 -0.23 0.00 0.00 178.00 180.20 2vae h GLU 89 N 0.00 0.52 0.00 0.86 4.81 -1.92 -3.33 114.58 115.52 2vae h GLU 89 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2vae h GLU 89 Cb 0.71 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2vae h GLU 89 CO 0.02 0.46 0.00 0.41 -0.73 0.00 0.00 179.01 179.17 2vae n GLY 90 N -0.88 -1.27 3.40 1.92 0.00 0.51 -4.49 105.19 104.38 2vae n GLY 90 Ca -0.01 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 2vae n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vae s PHE 91 N 0.00 0.26 0.17 1.61 -0.71 -0.81 -1.44 117.98 117.07 2vae s PHE 91 Ca 0.00 -0.62 0.08 0.00 -1.04 0.00 0.00 56.93 55.34 2vae s PHE 91 Cb 0.00 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 2vae s PHE 91 CO 0.00 -0.79 -0.02 0.15 -1.34 0.00 0.00 175.22 173.21 2vae s LYS 92 N -3.95 2.33 0.03 1.99 1.02 0.08 -0.70 119.74 120.54 2vae s LYS 92 Ca 0.16 -1.13 0.02 0.00 0.02 0.00 0.00 55.97 55.03 2vae s LYS 92 Cb 0.02 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2vae s LYS 92 CO 0.00 0.45 -0.07 1.67 -0.92 0.00 0.00 175.35 176.48 2vae s TRP 93 N -1.70 0.61 0.14 3.18 1.48 -0.67 -0.23 118.94 121.74 2vae s TRP 93 Ca 0.27 -0.42 0.04 0.00 -1.06 0.00 0.00 56.10 54.93 2vae s TRP 93 Cb -0.09 -0.37 -0.04 0.00 -1.16 0.00 0.00 33.47 31.80 2vae s TRP 93 CO 0.18 -0.07 -0.10 -1.21 -4.06 0.00 0.00 176.95 171.68 2vae s GLU 94 N -1.28 1.02 -0.14 3.25 2.02 -0.11 -0.61 118.70 122.86 2vae s GLU 94 Ca -0.08 -1.40 -0.22 0.00 0.02 0.00 0.00 54.97 53.29 2vae s GLU 94 Cb -0.08 -0.60 0.05 0.00 0.10 0.00 0.00 34.13 33.60 2vae s GLU 94 CO 0.00 0.07 0.55 0.50 0.02 0.00 0.00 175.26 176.41 2vae s ARG 95 N -3.59 0.77 -0.13 1.61 3.52 -0.69 -0.75 118.95 119.69 2vae s ARG 95 Ca 0.15 0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 56.21 2vae s ARG 95 Cb 0.02 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.75 2vae s ARG 95 CO 0.00 -0.16 -0.09 0.08 -0.81 0.00 0.00 175.30 174.32 2vae s VAL 96 N -0.38 3.46 -0.20 7.11 1.01 -0.02 -1.34 120.40 130.04 2vae s VAL 96 Ca -0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2vae s VAL 96 Cb -0.03 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 2vae s VAL 96 CO 0.04 0.52 -0.06 -0.04 0.00 0.00 0.00 175.10 175.56 2vae s MET 97 N 0.17 3.37 -0.34 2.72 -1.94 -0.30 -1.10 119.30 121.88 2vae s MET 97 Ca -0.05 -0.64 -0.08 0.00 -1.71 0.00 0.00 55.69 53.21 2vae s MET 97 Cb -0.14 -2.94 0.02 0.00 2.01 0.00 0.00 34.83 33.78 2vae s MET 97 CO 0.04 -0.13 0.14 -0.80 -0.01 0.00 0.00 175.02 174.26 2vae s ASN 98 N 1.29 5.45 0.19 3.03 0.01 -0.19 -1.51 114.94 123.22 2vae s ASN 98 Ca 0.03 -0.93 -0.10 0.00 -0.71 0.00 0.00 52.86 51.16 2vae s ASN 98 Cb -0.14 -1.94 -0.07 0.00 0.41 0.00 0.00 41.25 39.51 2vae s ASN 98 CO -0.03 -0.30 0.51 -0.36 -1.51 0.00 0.00 177.10 175.41 2vae s PHE 99 N 1.50 3.47 0.01 2.20 0.40 -0.06 -1.14 117.98 124.36 2vae s PHE 99 Ca 0.01 0.85 0.32 0.00 -0.60 0.00 0.00 56.93 57.51 2vae s PHE 99 Cb -0.19 -2.23 1.40 0.00 0.51 0.00 0.00 43.02 42.51 2vae s PHE 99 CO 0.05 0.34 1.95 1.05 0.70 0.00 0.00 175.22 179.30 2vae h GLU 100 N 2.82 0.00 -0.64 0.44 4.11 -1.52 -1.33 114.58 118.47 2vae h GLU 100 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2vae h GLU 100 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2vae h GLU 100 CO 0.69 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.37 2vae n ASP 101 N -2.82 4.96 0.00 3.06 5.75 -1.26 -4.94 116.55 121.30 2vae n ASP 101 Ca 0.00 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 2vae n ASP 101 Cb 0.24 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 2vae n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vae n GLY 102 N 1.03 0.23 3.75 6.12 0.00 -0.50 -4.60 105.19 111.23 2vae n GLY 102 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 2vae n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vae s GLY 103 N -2.01 2.89 -0.01 -0.02 0.00 -1.17 -4.72 107.32 102.28 2vae s GLY 103 Ca 0.00 1.34 -0.00 0.00 0.00 0.00 0.00 44.72 46.06 2vae s GLY 103 CO 0.00 1.88 0.02 0.14 0.00 0.00 0.00 173.10 175.13 2vae s VAL 104 N -1.29 -0.03 -0.02 1.40 1.01 -0.30 -0.88 120.40 120.29 2vae s VAL 104 Ca 0.68 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.83 2vae s VAL 104 Cb -0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 2vae s VAL 104 CO 0.49 0.04 -0.20 -0.69 0.00 0.00 0.00 175.10 174.74 2vae s VAL 105 N 0.54 1.61 0.10 2.92 1.01 -0.57 -0.90 120.40 125.12 2vae s VAL 105 Ca -0.04 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.15 2vae s VAL 105 Cb -0.06 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2vae s VAL 105 CO -0.02 0.46 -0.18 0.42 0.00 0.00 0.00 175.10 175.79 2vae s THR 106 N -0.43 2.86 0.00 3.92 -4.23 -0.60 -1.15 115.64 116.02 2vae s THR 106 Ca 0.07 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 2vae s THR 106 Cb -0.08 -2.30 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 2vae s THR 106 CO -0.00 0.14 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.48 2vae s VAL 107 N -1.11 0.36 -0.02 2.29 1.01 -0.45 -1.35 120.40 121.12 2vae s VAL 107 Ca 0.18 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2vae s VAL 107 Cb -0.11 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2vae s VAL 107 CO 0.10 0.03 -0.07 0.28 0.00 0.00 0.00 175.10 175.44 2vae s THR 108 N -0.27 0.61 0.00 3.92 -1.32 -0.37 -1.70 115.64 116.52 2vae s THR 108 Ca 0.00 -0.27 -0.01 0.00 -1.21 0.00 0.00 61.69 60.20 2vae s THR 108 Cb -0.03 -0.56 -0.00 0.00 -1.51 0.00 0.00 72.50 70.40 2vae s THR 108 CO -0.00 0.20 0.01 -1.58 -2.21 0.00 0.00 174.62 171.04 2vae s GLN 109 N 0.22 0.13 -0.09 7.08 -0.44 0.22 -0.86 119.66 125.92 2vae s GLN 109 Ca -0.03 -0.19 0.04 0.00 -2.50 0.00 0.00 55.36 52.68 2vae s GLN 109 Cb -0.08 0.05 -0.00 0.00 -1.64 0.00 0.00 33.01 31.34 2vae s GLN 109 CO 0.00 -0.02 -0.22 0.34 0.50 0.00 0.00 175.29 175.88 2vae s ASP 110 N -0.51 2.89 -0.16 6.67 -1.08 -0.11 -1.67 116.67 122.71 2vae s ASP 110 Ca -0.06 -0.51 0.01 0.00 -0.52 0.00 0.00 52.55 51.47 2vae s ASP 110 Cb -0.04 -1.23 0.01 0.00 -1.46 0.00 0.00 42.92 40.21 2vae s ASP 110 CO -0.00 0.16 -0.19 -0.44 0.52 0.00 0.00 175.17 175.22 2vae s SER 111 N 0.30 3.30 0.41 -0.34 0.01 0.13 -1.41 113.70 116.09 2vae s SER 111 Ca -0.16 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.56 2vae s SER 111 Cb -0.17 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 2vae s SER 111 CO 0.07 0.04 0.15 -0.44 0.41 0.00 0.00 173.24 173.48 2vae s SER 112 N 1.03 2.70 -0.06 2.44 0.01 -0.22 -1.92 113.70 117.69 2vae s SER 112 Ca -0.01 -1.71 -0.01 0.00 1.31 0.00 0.00 55.95 55.53 2vae s SER 112 Cb -0.14 0.55 0.03 0.00 0.21 0.00 0.00 66.02 66.66 2vae s SER 112 CO -0.06 -0.97 0.02 -0.22 0.41 0.00 0.00 173.24 172.42 2vae s LEU 113 N -3.59 0.51 -0.08 2.44 2.96 -1.25 -0.70 118.68 118.97 2vae s LEU 113 Ca 0.25 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 2vae s LEU 113 Cb 0.02 -0.34 0.03 0.00 0.50 0.00 0.00 46.19 46.40 2vae s LEU 113 CO 0.16 -0.20 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.39 2vae s GLN 114 N 1.94 0.87 -1.52 1.98 2.00 -0.24 -4.83 119.66 119.87 2vae s GLN 114 Ca 0.04 0.00 -0.12 0.00 -2.00 0.00 0.00 55.36 53.29 2vae s GLN 114 Cb -0.12 -1.15 0.08 0.00 0.80 0.00 0.00 33.01 32.62 2vae s GLN 114 CO -0.04 -0.29 0.87 -0.25 -0.50 0.00 0.00 175.29 175.07 2vae n ASP 115 N 5.08 -3.69 0.00 6.67 8.00 -1.26 -1.40 116.55 129.96 2vae n ASP 115 Ca -0.09 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.57 2vae n ASP 115 Cb 0.50 -3.67 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 2vae n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vae n GLY 116 N -1.65 0.45 3.27 0.44 0.00 -1.26 -5.02 105.19 101.41 2vae n GLY 116 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2vae n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vae s PHE 118 N -0.28 3.13 -0.16 0.00 0.08 -0.23 -1.08 117.98 119.45 2vae s PHE 118 Ca 0.00 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.63 2vae s PHE 118 Cb -0.12 -3.35 0.02 0.00 -0.57 0.00 0.00 43.02 39.00 2vae s PHE 118 CO 0.02 -1.17 -0.15 0.42 -0.10 0.00 0.00 175.22 174.25 2vae s ILE 119 N -1.43 1.65 -0.13 0.64 -1.09 0.12 -0.59 121.20 120.38 2vae s ILE 119 Ca 0.56 -0.71 -0.00 0.00 -2.23 0.00 0.00 60.65 58.26 2vae s ILE 119 Cb -0.30 -1.55 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 2vae s ILE 119 CO 0.37 0.45 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.10 2vae s TYR 120 N 1.45 2.83 -0.11 3.97 2.02 0.36 -1.05 117.35 126.82 2vae s TYR 120 Ca 0.04 -0.61 0.02 0.00 -0.37 0.00 0.00 57.07 56.15 2vae s TYR 120 Cb -0.13 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 2vae s TYR 120 CO -0.11 -0.20 -0.15 0.15 -1.57 0.00 0.00 175.55 173.68 2vae s LYS 121 N 0.35 2.19 -0.02 -0.62 1.02 -0.50 -1.61 119.74 120.55 2vae s LYS 121 Ca -0.10 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 55.38 2vae s LYS 121 Cb -0.16 -1.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 2vae s LYS 121 CO 0.05 -0.08 -0.16 0.08 -0.92 0.00 0.00 175.35 174.32 2vae s VAL 122 N 1.04 1.32 -0.03 3.17 1.01 0.02 -0.93 120.40 125.99 2vae s VAL 122 Ca -0.06 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2vae s VAL 122 Cb -0.15 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2vae s VAL 122 CO -0.02 0.38 -0.21 -0.54 0.00 0.00 0.00 175.10 174.70 2vae s LYS 123 N -0.21 1.96 -0.04 2.72 1.02 -0.04 -1.46 119.74 123.69 2vae s LYS 123 Ca 0.02 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.24 2vae s LYS 123 Cb -0.08 -1.77 0.03 0.00 -0.52 0.00 0.00 37.83 35.49 2vae s LYS 123 CO 0.00 0.39 0.06 0.12 -0.92 0.00 0.00 175.35 175.00 2vae s PHE 124 N -0.28 0.02 -0.16 3.18 2.19 -0.84 -1.24 117.98 120.86 2vae s PHE 124 Ca 0.02 0.26 0.00 0.00 0.33 0.00 0.00 56.93 57.54 2vae s PHE 124 Cb -0.11 -0.38 0.03 0.00 -1.31 0.00 0.00 43.02 41.25 2vae s PHE 124 CO 0.01 -0.17 -0.13 0.42 1.83 0.00 0.00 175.22 177.19 2vae s ILE 125 N 1.82 1.56 -0.10 3.12 1.01 -0.45 -1.36 121.20 126.79 2vae s ILE 125 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.98 2vae s ILE 125 Cb -0.12 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 2vae s ILE 125 CO -0.03 0.39 -0.21 -0.83 0.00 0.00 0.00 174.94 174.26 2vae s GLY 126 N 1.48 1.39 0.10 6.18 0.00 0.41 -1.56 107.32 115.33 2vae s GLY 126 Ca 0.04 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2vae s GLY 126 CO -0.10 -0.32 -0.07 -1.34 0.00 0.00 0.00 173.10 171.27 2vae s VAL 127 N 0.29 0.77 -0.72 1.40 -7.23 -0.08 -1.14 120.40 113.69 2vae s VAL 127 Ca -0.15 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2vae s VAL 127 Cb -0.17 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.15 2vae s VAL 127 CO 0.08 -0.80 0.00 -3.20 -0.31 0.00 0.00 175.10 170.86 2vae n ASN 128 N 0.07 -3.29 -4.71 4.85 5.15 -1.26 -1.15 115.26 114.93 2vae n ASN 128 Ca -0.13 0.08 -0.42 0.00 -0.60 0.00 0.00 54.58 53.51 2vae n ASN 128 Cb 0.60 -2.11 -0.03 0.00 -0.53 0.00 0.00 39.78 37.71 2vae n ASN 128 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2vae s PHE 129 N -2.34 3.57 0.37 1.20 0.08 -1.26 -3.02 117.98 116.57 2vae s PHE 129 Ca 0.00 1.57 -0.28 0.00 0.12 0.00 0.00 56.93 58.34 2vae s PHE 129 Cb 0.00 -3.21 -0.11 0.00 -0.57 0.00 0.00 43.02 39.12 2vae s PHE 129 CO 0.00 -0.40 1.39 -2.30 -0.10 0.00 0.00 175.22 173.81 2vae n PRO 130 N 4.09 2.39 0.25 0.24 -0.02 -1.26 -4.86 135.00 135.82 2vae n PRO 130 Ca 0.07 0.84 0.11 0.00 -2.02 0.00 0.00 63.50 62.50 2vae n PRO 130 Cb 0.49 -2.50 0.68 0.00 -0.02 0.00 0.00 33.50 32.15 2vae n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2vae h SER 131 N 2.71 0.00 -0.56 2.55 4.64 -1.99 -2.06 113.55 118.84 2vae h SER 131 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2vae h SER 131 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2vae h SER 131 CO 0.63 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.82 2vae n ASP 132 N -3.80 3.72 -4.43 4.97 5.75 -1.26 -4.53 116.55 116.96 2vae n ASP 132 Ca -0.02 -2.12 -0.28 0.00 -0.01 0.00 0.00 54.79 52.36 2vae n ASP 132 Cb 0.24 -0.42 0.14 0.00 -1.03 0.00 0.00 41.12 40.06 2vae n ASP 132 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2vae s GLY 133 N -1.03 1.74 0.49 6.12 0.00 -0.77 -4.83 107.32 109.04 2vae s GLY 133 Ca 0.40 -1.20 0.25 0.00 0.00 0.00 0.00 44.72 44.17 2vae s GLY 133 CO 0.25 -0.55 2.01 -0.56 0.00 0.00 0.00 173.10 174.25 2vae h PRO 134 N -1.22 0.00 0.27 2.90 0.13 -1.94 -1.17 132.00 130.96 2vae h PRO 134 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2vae h PRO 134 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2vae h PRO 134 CO 0.45 0.16 -0.13 0.28 -0.23 0.00 0.00 178.00 178.53 2vae h VAL 135 N 0.00 0.46 0.00 1.56 2.07 -1.94 0.11 116.25 118.51 2vae h VAL 135 Ca -0.00 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 2vae h VAL 135 Cb 0.42 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2vae h VAL 135 CO 0.02 0.11 -0.08 0.24 0.02 0.00 0.00 177.57 177.89 2vae h MET 136 N -0.98 0.00 -0.25 1.57 2.86 -1.76 0.59 114.93 116.96 2vae h MET 136 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2vae h MET 136 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2vae h MET 136 CO 0.06 0.08 0.00 1.04 1.06 0.00 0.00 176.91 179.15 2vae n GLN 137 N -3.27 2.35 -3.54 1.72 1.13 -0.45 -4.62 117.38 110.71 2vae n GLN 137 Ca -0.00 -2.11 -0.19 0.00 -1.94 0.00 0.00 57.00 52.76 2vae n GLN 137 Cb 0.30 -1.47 0.07 0.00 0.11 0.00 0.00 30.24 29.24 2vae n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2vae n LYS 138 N 1.38 -5.95 -0.29 -1.09 5.02 -0.76 -4.91 118.16 111.56 2vae n LYS 138 Ca 0.17 0.76 0.11 0.00 -2.02 0.00 0.00 58.31 57.32 2vae n LYS 138 Cb 0.58 -5.59 0.26 0.00 -0.02 0.00 0.00 35.03 30.26 2vae n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2vae n LYS 139 N -4.19 2.64 -3.67 1.97 4.76 -0.05 -4.98 118.16 114.64 2vae n LYS 139 Ca -0.29 -2.43 -0.31 0.00 -2.87 0.00 0.00 58.31 52.40 2vae n LYS 139 Cb 0.67 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.32 2vae n LYS 139 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2vae s THR 140 N -1.11 5.17 -0.38 -0.18 -4.23 -1.26 -0.69 115.64 112.96 2vae s THR 140 Ca 0.41 -0.02 0.13 0.00 -1.18 0.00 0.00 61.69 61.04 2vae s THR 140 Cb 0.22 -3.64 0.41 0.00 1.34 0.00 0.00 72.50 70.83 2vae s THR 140 CO 0.30 0.01 0.90 1.15 -0.54 0.00 0.00 174.62 176.43 2vae n MET 141 N -0.02 1.57 0.00 3.99 0.00 0.87 -4.80 117.12 118.73 2vae n MET 141 Ca -0.03 -3.61 0.00 0.00 0.00 0.00 0.00 57.70 54.07 2vae n MET 141 Cb 0.52 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 32.12 2vae n MET 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2vae n GLY 142 N -0.02 0.96 3.80 3.17 0.00 -1.26 -4.57 105.19 107.28 2vae n GLY 142 Ca 0.20 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 2vae n GLY 142 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2vae s TRP 143 N -2.98 3.58 0.68 1.61 0.52 -1.26 -0.99 118.94 120.11 2vae s TRP 143 Ca 0.00 1.58 -0.15 0.00 0.02 0.00 0.00 56.10 57.55 2vae s TRP 143 Cb 0.00 -2.78 0.01 0.00 -1.15 0.00 0.00 33.47 29.55 2vae s TRP 143 CO 0.00 0.18 1.15 -1.21 0.02 0.00 0.00 176.95 177.09 2vae s GLU 144 N -2.32 2.55 0.74 4.98 0.41 -0.22 -4.86 118.70 119.98 2vae s GLU 144 Ca 0.50 1.56 -0.15 0.00 -0.41 0.00 0.00 54.97 56.48 2vae s GLU 144 Cb -0.16 -1.90 0.04 0.00 -1.78 0.00 0.00 34.13 30.33 2vae s GLU 144 CO 0.20 -1.48 1.24 -1.25 -0.49 0.00 0.00 175.26 173.48 2vae s PRO 145 N -3.96 2.04 0.25 0.39 0.04 -1.26 -4.77 135.00 127.73 2vae s PRO 145 Ca 0.70 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.62 2vae s PRO 145 Cb -0.24 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2vae s PRO 145 CO 0.42 -1.93 0.11 -1.54 0.04 0.00 0.00 177.00 174.10 2vae s SER 146 N -1.88 1.04 -0.07 6.66 1.04 0.03 -4.96 113.70 115.56 2vae s SER 146 Ca 0.77 -1.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 2vae s SER 146 Cb -0.32 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.08 2vae s SER 146 CO 0.46 -0.78 0.03 -0.89 0.98 0.00 0.00 173.24 173.04 2vae s THR 147 N -3.81 0.16 -0.03 2.02 2.01 -1.26 -0.84 115.64 113.88 2vae s THR 147 Ca 0.38 0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.46 2vae s THR 147 Cb 0.07 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 2vae s THR 147 CO 0.14 0.19 0.36 -0.70 -0.69 0.00 0.00 174.62 173.92 2vae s GLU 148 N 2.06 3.87 -0.27 4.92 2.12 0.27 -4.54 118.70 127.12 2vae s GLU 148 Ca 0.05 0.31 -0.10 0.00 0.36 0.00 0.00 54.97 55.58 2vae s GLU 148 Cb -0.12 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 2vae s GLU 148 CO -0.05 0.67 0.16 0.50 -0.54 0.00 0.00 175.26 176.00 2vae s ARG 149 N -0.94 3.88 0.20 4.30 3.00 -0.02 -1.33 118.95 128.04 2vae s ARG 149 Ca 0.22 -0.36 0.11 0.00 -1.00 0.00 0.00 55.73 54.70 2vae s ARG 149 Cb -0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 34.95 31.18 2vae s ARG 149 CO 0.11 -0.17 -0.20 -0.51 0.00 0.00 0.00 175.30 174.53 2vae s LEU 150 N 1.70 2.58 0.05 -0.88 1.02 0.41 -1.25 118.68 122.31 2vae s LEU 150 Ca 0.07 -0.81 -0.27 0.00 0.02 0.00 0.00 54.13 53.14 2vae s LEU 150 Cb -0.16 -1.28 0.08 0.00 0.02 0.00 0.00 46.19 44.85 2vae s LEU 150 CO 0.09 0.11 0.68 -0.72 0.02 0.00 0.00 176.35 176.52 2vae s TYR 151 N -1.76 -0.55 0.28 0.29 1.13 -0.38 -1.70 117.35 114.67 2vae s TYR 151 Ca 0.23 0.62 -0.25 0.00 -1.41 0.00 0.00 57.07 56.25 2vae s TYR 151 Cb -0.08 0.50 -0.09 0.00 -1.10 0.00 0.00 41.96 41.19 2vae s TYR 151 CO 0.12 -0.71 0.88 -1.25 -2.51 0.00 0.00 175.55 172.08 2vae s PRO 152 N -2.65 4.53 -0.27 -3.49 0.04 -1.26 -1.41 135.00 130.49 2vae s PRO 152 Ca -0.03 1.22 -0.22 0.00 0.04 0.00 0.00 61.00 62.02 2vae s PRO 152 Cb -0.01 -2.89 0.07 0.00 0.04 0.00 0.00 34.50 31.72 2vae s PRO 152 CO -0.04 0.35 0.69 0.50 0.04 0.00 0.00 177.00 178.54 2vae s ARG 153 N -1.90 0.78 -1.69 4.56 3.52 -0.23 -4.94 118.95 119.05 2vae s ARG 153 Ca 0.47 1.04 -0.01 0.00 -0.13 0.00 0.00 55.73 57.10 2vae s ARG 153 Cb -0.19 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 2vae s ARG 153 CO 0.24 -0.11 0.12 -3.47 -0.81 0.00 0.00 175.30 171.26 2vae n ASP 154 N 3.18 -5.82 0.00 -2.12 2.03 -1.26 -1.27 116.55 111.29 2vae n ASP 154 Ca -0.16 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.08 2vae n ASP 154 Cb 0.56 -4.80 0.00 0.00 -0.72 0.00 0.00 41.12 36.17 2vae n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vae n GLY 155 N -1.11 0.32 3.60 0.27 0.00 -1.26 -4.99 105.19 102.01 2vae n GLY 155 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 2vae n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vae s VAL 156 N -1.72 0.77 -0.13 1.61 -7.23 -0.40 -4.88 120.40 108.42 2vae s VAL 156 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2vae s VAL 156 Cb 0.00 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 2vae s VAL 156 CO 0.00 0.00 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.55 2vae s LEU 157 N -3.70 3.38 0.12 1.32 2.96 -0.95 -1.07 118.68 120.74 2vae s LEU 157 Ca 0.18 -0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2vae s LEU 157 Cb 0.02 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2vae s LEU 157 CO 0.11 0.24 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.68 2vae s LYS 158 N -0.04 1.06 0.01 1.98 1.02 -0.50 -0.42 119.74 122.84 2vae s LYS 158 Ca 0.02 -1.22 -0.20 0.00 0.02 0.00 0.00 55.97 54.59 2vae s LYS 158 Cb -0.13 -1.05 0.04 0.00 -0.52 0.00 0.00 37.83 36.17 2vae s LYS 158 CO 0.02 0.22 0.45 0.20 -0.92 0.00 0.00 175.35 175.32 2vae s GLY 159 N -2.32 -0.32 0.06 -3.33 0.00 -0.60 -1.25 107.32 99.56 2vae s GLY 159 Ca 0.08 0.56 0.04 0.00 0.00 0.00 0.00 44.72 45.40 2vae s GLY 159 CO 0.04 0.29 -0.11 -0.54 0.00 0.00 0.00 173.10 172.77 2vae s GLU 160 N -1.88 0.69 -0.00 2.90 8.01 -0.38 -0.38 118.70 127.65 2vae s GLU 160 Ca -0.09 -0.87 -0.00 0.00 0.01 0.00 0.00 54.97 54.02 2vae s GLU 160 Cb -0.02 -0.57 0.00 0.00 -4.31 0.00 0.00 34.13 29.23 2vae s GLU 160 CO 0.02 0.12 0.00 0.42 0.01 0.00 0.00 175.26 175.83 2vae s ILE 161 N -1.36 0.00 -0.45 -1.63 1.01 -0.39 -0.84 121.20 117.54 2vae s ILE 161 Ca -0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.42 2vae s ILE 161 Cb -0.10 -0.01 0.04 0.00 0.01 0.00 0.00 42.46 42.40 2vae s ILE 161 CO 0.01 -0.00 0.45 -1.00 0.00 0.00 0.00 174.94 174.40 2vae s HIS 162 N -0.01 3.17 0.38 3.97 3.76 -1.26 -0.85 115.29 124.45 2vae s HIS 162 Ca -0.00 -0.58 0.08 0.00 -0.15 0.00 0.00 55.06 54.41 2vae s HIS 162 Cb -0.00 -3.07 -0.03 0.00 1.11 0.00 0.00 32.58 30.59 2vae s HIS 162 CO -0.00 -0.78 0.28 0.15 -0.85 0.00 0.00 174.74 173.54 2vae s LYS 163 N 2.06 2.49 -0.18 1.40 1.02 0.01 -4.78 119.74 121.77 2vae s LYS 163 Ca 0.10 -1.54 -0.11 0.00 0.02 0.00 0.00 55.97 54.44 2vae s LYS 163 Cb -0.20 -2.30 0.06 0.00 -0.52 0.00 0.00 37.83 34.88 2vae s LYS 163 CO 0.11 -0.06 0.44 0.00 -0.92 0.00 0.00 175.35 174.92 2vae s ALA 164 N -2.45 -1.14 -0.09 5.17 0.00 -1.26 -1.75 121.76 120.24 2vae s ALA 164 Ca 0.43 1.55 -0.13 0.00 0.00 0.00 0.00 51.96 53.82 2vae s ALA 164 Cb -0.02 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 2vae s ALA 164 CO 0.26 -0.26 0.33 -0.51 0.00 0.00 0.00 175.76 175.57 2vae s LEU 165 N 1.17 4.36 0.32 0.00 1.43 0.29 -1.05 118.68 125.20 2vae s LEU 165 Ca -0.08 0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 53.45 2vae s LEU 165 Cb -0.07 -2.43 -0.09 0.00 0.03 0.00 0.00 46.19 43.63 2vae s LEU 165 CO -0.10 0.23 1.10 -0.54 0.23 0.00 0.00 176.35 177.26 2vae s LYS 166 N -0.37 4.45 -0.10 1.70 1.02 -0.16 -0.38 119.74 125.91 2vae s LYS 166 Ca 0.20 1.74 -0.06 0.00 0.02 0.00 0.00 55.97 57.87 2vae s LYS 166 Cb -0.14 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2vae s LYS 166 CO 0.08 0.06 0.13 -0.51 -0.92 0.00 0.00 175.35 174.19 2vae s LEU 167 N -1.87 4.31 0.23 3.17 1.43 -0.41 -0.09 118.68 125.44 2vae s LEU 167 Ca 0.49 0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 53.93 2vae s LEU 167 Cb -0.29 -2.11 0.38 0.00 0.03 0.00 0.00 46.19 44.20 2vae s LEU 167 CO 0.37 0.39 1.66 0.11 0.23 0.00 0.00 176.35 179.11 2vae h LYS 168 N 4.85 0.15 -0.57 1.70 1.57 -1.22 -1.32 116.57 121.72 2vae h LYS 168 Ca -0.54 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2vae h LYS 168 Cb 1.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2vae h LYS 168 CO 0.59 0.10 0.00 -0.25 -0.57 0.00 0.00 179.45 179.32 2vae n ASP 169 N -5.27 2.36 0.00 0.86 9.92 -1.26 -4.99 116.55 118.17 2vae n ASP 169 Ca 0.12 -2.20 0.00 0.00 -0.53 0.00 0.00 54.79 52.18 2vae n ASP 169 Cb 0.42 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 2vae n ASP 169 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2vae n GLY 170 N 0.63 1.02 7.00 0.44 0.00 -0.50 -5.11 105.19 108.67 2vae n GLY 170 Ca 0.11 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2vae n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vae n GLY 171 N 1.01 -1.56 3.14 -0.02 0.00 -1.26 -4.49 105.19 102.01 2vae n GLY 171 Ca 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 2vae n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vae s HIS 172 N 0.00 0.98 -0.20 1.61 3.76 -1.26 -1.29 115.29 118.89 2vae s HIS 172 Ca 0.00 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 2vae s HIS 172 Cb 0.00 -0.56 0.02 0.00 1.11 0.00 0.00 32.58 33.16 2vae s HIS 172 CO 0.00 -0.01 -0.15 -0.47 -0.85 0.00 0.00 174.74 173.26 2vae s TYR 173 N -1.70 2.90 -0.01 1.40 5.04 0.49 -4.92 117.35 120.54 2vae s TYR 173 Ca -0.02 -1.63 -0.12 0.00 -2.44 0.00 0.00 57.07 52.86 2vae s TYR 173 Cb -0.08 -1.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.22 2vae s TYR 173 CO 0.01 -0.77 0.35 -0.51 -1.34 0.00 0.00 175.55 173.28 2vae s LEU 174 N 1.30 4.44 -0.08 6.97 1.43 -1.26 -0.55 118.68 130.93 2vae s LEU 174 Ca 0.03 0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 53.91 2vae s LEU 174 Cb -0.14 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.57 2vae s LEU 174 CO -0.10 0.32 0.18 0.54 0.23 0.00 0.00 176.35 177.53 2vae s VAL 175 N -1.12 -0.03 -0.13 -1.59 0.11 -0.72 -1.34 120.40 115.58 2vae s VAL 175 Ca 0.23 0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.24 2vae s VAL 175 Cb -0.15 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 2vae s VAL 175 CO 0.12 0.04 0.31 -0.70 -3.33 0.00 0.00 175.10 171.54 2vae s GLU 176 N 0.73 4.15 -0.11 1.54 2.12 -0.29 -0.81 118.70 126.02 2vae s GLU 176 Ca -0.05 0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.38 2vae s GLU 176 Cb -0.07 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 2vae s GLU 176 CO -0.04 0.33 0.02 -0.06 -0.54 0.00 0.00 175.26 174.98 2vae s PHE 177 N 0.17 3.21 -0.12 5.30 0.40 -0.03 -1.02 117.98 125.88 2vae s PHE 177 Ca 0.18 0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 2vae s PHE 177 Cb -0.13 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.54 2vae s PHE 177 CO 0.05 0.39 -0.13 0.15 0.70 0.00 0.00 175.22 176.39 2vae s LYS 178 N -0.54 2.00 0.17 0.44 1.02 -0.25 -1.27 119.74 121.31 2vae s LYS 178 Ca 0.10 -0.46 0.09 0.00 0.02 0.00 0.00 55.97 55.71 2vae s LYS 178 Cb -0.12 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 2vae s LYS 178 CO 0.02 -0.16 -0.18 -1.12 -0.92 0.00 0.00 175.35 172.99 2vae s SER 179 N 1.28 2.71 -0.05 2.83 0.01 0.48 -0.84 113.70 120.14 2vae s SER 179 Ca -0.01 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2vae s SER 179 Cb -0.14 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 65.96 2vae s SER 179 CO -0.05 -0.04 -0.02 -0.63 0.41 0.00 0.00 173.24 172.91 2vae s ILE 180 N -2.09 0.41 -0.19 1.44 1.09 0.07 -1.56 121.20 120.36 2vae s ILE 180 Ca 0.16 -0.02 -0.01 0.00 -1.10 0.00 0.00 60.65 59.68 2vae s ILE 180 Cb -0.05 -0.48 0.00 0.00 -1.06 0.00 0.00 42.46 40.87 2vae s ILE 180 CO 0.07 0.21 -0.13 -0.31 -0.10 0.00 0.00 174.94 174.67 2vae s TYR 181 N 1.14 2.84 -0.28 3.97 2.02 0.44 -0.93 117.35 126.55 2vae s TYR 181 Ca -0.08 -1.25 0.01 0.00 -0.37 0.00 0.00 57.07 55.38 2vae s TYR 181 Cb -0.14 -1.98 0.08 0.00 -0.40 0.00 0.00 41.96 39.53 2vae s TYR 181 CO -0.01 -0.64 0.01 -1.64 -1.57 0.00 0.00 175.55 171.70 2vae s MET 182 N 1.24 1.36 0.51 -0.62 -1.94 0.68 -2.23 119.30 118.29 2vae s MET 182 Ca 0.03 -1.27 -0.23 0.00 -1.71 0.00 0.00 55.69 52.51 2vae s MET 182 Cb -0.14 -2.62 -0.06 0.00 2.01 0.00 0.00 34.83 34.02 2vae s MET 182 CO -0.06 -0.79 1.36 0.00 -0.01 0.00 0.00 175.02 175.52 2vae s ALA 183 N 1.31 2.97 0.33 3.03 0.00 -1.26 -0.74 121.76 127.39 2vae s ALA 183 Ca 0.03 1.34 0.08 0.00 0.00 0.00 0.00 51.96 53.41 2vae s ALA 183 Cb -0.19 -3.56 0.58 0.00 0.00 0.00 0.00 23.12 19.95 2vae s ALA 183 CO -0.11 -1.25 1.78 0.87 0.00 0.00 0.00 175.76 177.05 2vae h LYS 184 N 1.80 0.24 -4.93 0.00 1.57 -1.55 -3.39 116.57 110.31 2vae h LYS 184 Ca -0.51 -0.09 -0.62 0.00 -1.87 0.00 0.00 60.65 57.57 2vae h LYS 184 Cb 1.28 -0.01 -0.34 0.00 0.08 0.00 0.00 32.23 33.24 2vae h LYS 184 CO 0.59 0.53 -0.85 -1.59 -0.57 0.00 0.00 179.45 177.55 2vae s LYS 185 N -4.36 2.51 0.03 3.15 0.00 -1.26 -5.11 119.74 114.70 2vae s LYS 185 Ca -0.05 -0.67 -0.35 0.00 0.00 0.00 0.00 55.97 54.90 2vae s LYS 185 Cb 0.14 -2.07 -0.14 0.00 0.00 0.00 0.00 37.83 35.76 2vae s LYS 185 CO 0.76 -0.02 1.67 -2.30 0.00 0.00 0.00 175.35 175.45 2vae n PRO 186 N 4.09 1.97 -4.71 1.78 -0.02 -1.26 -4.93 135.00 131.93 2vae n PRO 186 Ca -0.19 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.69 2vae n PRO 186 Cb 0.51 -2.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 2vae n PRO 186 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2vae s VAL 187 N 2.16 1.37 0.32 -1.45 -7.23 -1.26 -5.10 120.40 109.21 2vae s VAL 187 Ca 0.86 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 2vae s VAL 187 Cb -0.74 -2.40 -0.11 0.00 0.56 0.00 0.00 36.38 33.68 2vae s VAL 187 CO 0.46 0.00 1.47 -1.10 -0.31 0.00 0.00 175.10 175.62 2vae s GLN 188 N -3.83 4.19 0.07 4.82 -0.21 -1.26 -5.01 119.66 118.44 2vae s GLN 188 Ca 0.15 2.45 0.02 0.00 0.02 0.00 0.00 55.36 58.00 2vae s GLN 188 Cb 0.04 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 2vae s GLN 188 CO 0.08 -0.47 0.10 -0.51 -2.12 0.00 0.00 175.29 172.37 2vae s LEU 189 N -1.31 3.92 0.89 2.90 1.43 -1.26 -4.23 118.68 121.01 2vae s LEU 189 Ca 0.56 0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.59 2vae s LEU 189 Cb -0.45 -2.55 0.16 0.00 0.03 0.00 0.00 46.19 43.38 2vae s LEU 189 CO 0.54 0.18 1.24 -2.16 0.23 0.00 0.00 176.35 176.37 2vae s PRO 190 N -2.35 1.08 0.00 1.29 0.04 -1.26 -4.77 135.00 129.03 2vae s PRO 190 Ca 0.30 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.92 2vae s PRO 190 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2vae s PRO 190 CO 0.22 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2vae n GLY 191 N -3.52 1.66 3.69 0.56 0.00 -1.26 -4.26 105.19 102.06 2vae n GLY 191 Ca 0.14 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2vae n GLY 191 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2vae s TYR 192 N 2.24 3.00 0.31 1.61 5.04 -1.26 -4.40 117.35 123.89 2vae s TYR 192 Ca 0.00 0.93 -0.11 0.00 -2.44 0.00 0.00 57.07 55.45 2vae s TYR 192 Cb 0.00 -3.62 0.04 0.00 0.35 0.00 0.00 41.96 38.74 2vae s TYR 192 CO 0.00 -2.21 0.61 2.48 -1.34 0.00 0.00 175.55 175.09 2vae n TYR 193 N 4.99 -2.04 -4.22 4.97 4.11 -0.69 -4.83 117.16 119.46 2vae n TYR 193 Ca 0.12 -1.47 -0.20 0.00 -0.00 0.00 0.00 57.90 56.36 2vae n TYR 193 Cb 0.44 0.71 -0.12 0.00 -0.00 0.00 0.00 39.34 40.37 2vae n TYR 193 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2vae s TYR 194 N -3.66 1.32 -0.14 -3.48 1.51 -0.43 -0.45 117.35 112.02 2vae s TYR 194 Ca 0.13 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 2vae s TYR 194 Cb -0.04 -0.74 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 2vae s TYR 194 CO 0.10 0.08 -0.14 0.08 -1.11 0.00 0.00 175.55 174.55 2vae s VAL 195 N -1.19 1.55 0.01 0.71 1.01 -0.44 -0.81 120.40 121.25 2vae s VAL 195 Ca -0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 2vae s VAL 195 Cb -0.10 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2vae s VAL 195 CO 0.02 0.46 0.65 -1.81 0.00 0.00 0.00 175.10 174.42 2vae s ASP 196 N 1.36 7.05 0.08 3.32 1.01 -0.43 -0.57 116.67 128.50 2vae s ASP 196 Ca 0.02 1.26 0.03 0.00 0.71 0.00 0.00 52.55 54.57 2vae s ASP 196 Cb -0.13 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2vae s ASP 196 CO -0.08 0.07 -0.09 -0.44 0.21 0.00 0.00 175.17 174.84 2vae s SER 197 N -0.12 1.25 -0.16 0.27 0.01 -0.02 -1.29 113.70 113.63 2vae s SER 197 Ca 0.34 -0.79 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 2vae s SER 197 Cb -0.19 0.03 0.08 0.00 0.21 0.00 0.00 66.02 66.15 2vae s SER 197 CO 0.19 -0.29 0.27 -0.75 0.41 0.00 0.00 173.24 173.07 2vae s LYS 198 N -2.72 0.19 -0.18 12.44 2.20 -0.20 -0.79 119.74 130.68 2vae s LYS 198 Ca 0.03 0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 56.22 2vae s LYS 198 Cb -0.03 -0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 35.92 2vae s LYS 198 CO -0.01 -0.41 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.34 2vae s LEU 199 N 2.42 3.01 -0.03 5.43 2.96 -1.26 -1.76 118.68 129.44 2vae s LEU 199 Ca 0.04 -0.27 0.07 0.00 -0.22 0.00 0.00 54.13 53.75 2vae s LEU 199 Cb -0.13 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 2vae s LEU 199 CO -0.10 0.09 -0.24 -1.81 -1.32 0.00 0.00 176.35 172.97 2vae s ASP 200 N 0.81 2.88 -0.16 3.68 1.01 0.52 -4.56 116.67 120.86 2vae s ASP 200 Ca -0.02 -0.46 -0.28 0.00 0.71 0.00 0.00 52.55 52.51 2vae s ASP 200 Cb -0.15 -0.47 -0.01 0.00 1.01 0.00 0.00 42.92 43.30 2vae s ASP 200 CO 0.01 0.28 0.94 -0.63 0.21 0.00 0.00 175.17 175.99 2vae s ILE 201 N -0.43 4.80 -0.10 0.77 -1.09 -1.26 -0.79 121.20 123.11 2vae s ILE 201 Ca 0.05 1.88 0.15 0.00 -2.23 0.00 0.00 60.65 60.50 2vae s ILE 201 Cb -0.11 -4.24 -0.23 0.00 -1.58 0.00 0.00 42.46 36.30 2vae s ILE 201 CO 0.00 -0.02 0.20 0.35 -1.23 0.00 0.00 174.94 174.24 2vae n THR 202 N 4.77 0.59 -3.62 2.92 -2.24 0.01 -4.97 114.28 111.75 2vae n THR 202 Ca 0.08 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 2vae n THR 202 Cb 0.48 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 2vae n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2vae s SER 203 N -4.49 -0.36 -0.16 3.42 1.04 -1.20 -4.99 113.70 106.96 2vae s SER 203 Ca -0.07 -0.24 -0.30 0.00 0.48 0.00 0.00 55.95 55.81 2vae s SER 203 Cb 0.07 0.56 0.14 0.00 0.10 0.00 0.00 66.02 66.89 2vae s SER 203 CO 0.67 -0.97 1.07 -1.38 0.98 0.00 0.00 173.24 173.61 2vae s HIS 204 N -3.55 -0.28 0.81 5.02 -0.00 -1.26 -0.92 115.29 115.11 2vae s HIS 204 Ca 0.07 0.40 -0.09 0.00 -0.00 0.00 0.00 55.06 55.44 2vae s HIS 204 Cb -0.02 0.48 0.18 0.00 -0.00 0.00 0.00 32.58 33.21 2vae s HIS 204 CO -0.04 -0.31 1.10 0.27 -0.00 0.00 0.00 174.74 175.77 2vae n ASN 205 N 0.43 0.53 -0.23 7.38 6.94 -0.66 -4.96 115.26 124.70 2vae n ASN 205 Ca -0.07 -1.67 -0.01 0.00 -0.02 0.00 0.00 54.58 52.81 2vae n ASN 205 Cb 0.59 -0.80 0.20 0.00 -2.36 0.00 0.00 39.78 37.40 2vae n ASN 205 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2vae h GLU 206 N 0.00 1.04 -0.48 -3.83 4.81 -2.02 -2.66 114.58 111.43 2vae h GLU 206 Ca -0.36 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2vae h GLU 206 Cb 1.10 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2vae h GLU 206 CO 0.30 0.74 0.00 -0.40 -0.73 0.00 0.00 179.01 178.92 2vae n ASP 207 N -4.37 3.93 -3.41 1.04 5.75 -1.26 -4.95 116.55 113.27 2vae n ASP 207 Ca 0.08 -2.37 -0.24 0.00 -0.01 0.00 0.00 54.79 52.24 2vae n ASP 207 Cb 0.08 -0.45 0.04 0.00 -1.03 0.00 0.00 41.12 39.76 2vae n ASP 207 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2vae n TYR 208 N 0.66 -2.30 0.63 2.11 4.02 -1.00 -4.55 117.16 116.73 2vae n TYR 208 Ca 0.20 0.74 0.12 0.00 -0.01 0.00 0.00 57.90 58.95 2vae n TYR 208 Cb 0.72 -4.39 0.13 0.00 -0.02 0.00 0.00 39.34 35.78 2vae n TYR 208 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2vae n THR 209 N -4.64 0.25 -3.95 -0.72 -2.24 -1.26 -4.78 114.28 96.93 2vae n THR 209 Ca -0.03 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.31 2vae n THR 209 Cb 0.57 0.03 -0.17 0.00 -2.10 0.00 0.00 70.33 68.67 2vae n THR 209 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2vae s ILE 210 N -3.15 0.43 -0.03 2.28 1.01 -1.26 -0.68 121.20 119.79 2vae s ILE 210 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 2vae s ILE 210 Cb 0.14 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 42.10 2vae s ILE 210 CO 0.74 0.23 0.08 -0.69 0.00 0.00 0.00 174.94 175.31 2vae s VAL 211 N 1.42 -0.01 0.09 2.92 1.01 -0.48 -1.64 120.40 123.71 2vae s VAL 211 Ca -0.03 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.05 2vae s VAL 211 Cb -0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 2vae s VAL 211 CO -0.03 0.01 -0.19 -1.61 0.00 0.00 0.00 175.10 173.28 2vae s GLU 212 N 0.17 1.84 0.10 2.72 2.02 -0.09 -0.37 118.70 125.09 2vae s GLU 212 Ca -0.01 -1.13 0.02 0.00 0.02 0.00 0.00 54.97 53.87 2vae s GLU 212 Cb -0.02 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 2vae s GLU 212 CO -0.00 0.50 -0.07 -0.65 0.02 0.00 0.00 175.26 175.05 2vae s GLN 213 N -1.86 0.84 -0.00 1.61 -0.21 -0.04 -0.81 119.66 119.19 2vae s GLN 213 Ca 0.16 -1.30 0.01 0.00 0.02 0.00 0.00 55.36 54.25 2vae s GLN 213 Cb -0.10 -0.28 -0.00 0.00 1.00 0.00 0.00 33.01 33.62 2vae s GLN 213 CO 0.08 0.00 -0.02 -0.47 -2.12 0.00 0.00 175.29 172.76 2vae s TYR 214 N -3.36 0.19 -0.01 0.91 5.04 0.03 -1.68 117.35 118.46 2vae s TYR 214 Ca 0.11 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.72 2vae s TYR 214 Cb 0.03 -0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.22 2vae s TYR 214 CO -0.03 -0.01 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.13 2vae s GLU 215 N -0.00 0.42 -0.08 4.97 2.12 -0.28 -0.35 118.70 125.49 2vae s GLU 215 Ca 0.00 -0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.25 2vae s GLU 215 Cb -0.01 -0.44 -0.02 0.00 0.26 0.00 0.00 34.13 33.92 2vae s GLU 215 CO -0.00 0.04 -0.18 0.50 -0.54 0.00 0.00 175.26 175.08 2vae s ARG 216 N 0.19 2.79 -0.11 4.30 3.52 -0.72 -1.55 118.95 127.36 2vae s ARG 216 Ca -0.02 -0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 54.73 2vae s ARG 216 Cb -0.05 -2.37 0.04 0.00 -1.56 0.00 0.00 34.95 31.01 2vae s ARG 216 CO -0.00 0.40 0.28 0.00 -0.81 0.00 0.00 175.30 175.17 2vae s ALA 217 N -0.18 -0.67 -0.06 6.12 0.00 0.17 -1.03 121.76 126.11 2vae s ALA 217 Ca -0.01 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 2vae s ALA 217 Cb -0.13 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.45 2vae s ALA 217 CO 0.03 -0.17 0.13 -1.21 0.00 0.00 0.00 175.76 174.55 2vae s GLU 218 N 0.67 0.08 0.26 0.00 2.02 -0.41 -1.86 118.70 119.47 2vae s GLU 218 Ca -0.04 0.32 -0.10 0.00 0.02 0.00 0.00 54.97 55.18 2vae s GLU 218 Cb -0.06 -0.15 -0.07 0.00 0.10 0.00 0.00 34.13 33.95 2vae s GLU 218 CO -0.04 -0.15 0.58 0.20 0.02 0.00 0.00 175.26 175.88 2vae s GLY 219 N 1.01 2.20 0.10 -1.39 0.00 0.13 -1.31 107.32 108.07 2vae s GLY 219 Ca -0.08 -0.28 -0.26 0.00 0.00 0.00 0.00 44.72 44.11 2vae s GLY 219 CO -0.05 -0.13 0.80 1.09 0.00 0.00 0.00 173.10 174.81 2vae s ARG 220 N -3.01 1.13 0.74 2.90 1.70 0.01 -4.35 118.95 118.09 2vae s ARG 220 Ca 0.48 -0.49 -0.11 0.00 -0.47 0.00 0.00 55.73 55.14 2vae s ARG 220 Cb -0.11 0.47 0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2vae s ARG 220 CO 0.23 -0.50 1.08 -1.01 -1.08 0.00 0.00 175.30 174.01 2vae s HIS 221 N -3.43 2.84 0.42 5.89 3.76 -1.26 -1.32 115.29 122.20 2vae s HIS 221 Ca 0.06 1.44 -0.24 0.00 -0.15 0.00 0.00 55.06 56.17 2vae s HIS 221 Cb -0.02 -2.98 -0.11 0.00 1.11 0.00 0.00 32.58 30.59 2vae s HIS 221 CO -0.06 -1.56 0.92 1.58 -0.85 0.00 0.00 174.74 174.77 2vae n HIS 222 N -3.35 0.84 0.28 1.40 -0.00 -1.26 -4.81 115.22 108.32 2vae n HIS 222 Ca 0.08 0.57 0.16 0.00 0.46 0.00 0.00 57.72 58.99 2vae n HIS 222 Cb 0.54 -2.18 0.83 0.00 -0.12 0.00 0.00 29.99 29.05 2vae n HIS 222 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2vae h LEU 223 N 1.36 0.00 -1.11 0.27 3.38 -2.04 -2.62 115.31 114.55 2vae h LEU 223 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2vae h LEU 223 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2vae h LEU 223 CO 0.56 0.06 0.00 0.49 0.09 0.00 0.00 178.44 179.64 2vae n PHE 224 N -3.36 0.10 1.49 1.13 0.99 -1.26 -5.32 117.46 111.24 2vae n PHE 224 Ca -0.01 -0.05 0.14 0.00 -0.00 0.00 0.00 57.45 57.52 2vae n PHE 224 Cb 0.22 0.00 0.52 0.00 -1.00 0.00 0.00 39.48 39.22 2vae n PHE 224 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04