#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 4.79 0.74 1.34 1.01 -1.26 -5.03 121.20 122.79 2vae s ILE 8 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 2vae s ILE 8 Cb 0.00 -4.31 0.07 0.00 0.01 0.00 0.00 42.46 38.23 2vae s ILE 8 CO 0.00 -0.80 1.07 -0.54 0.00 0.00 0.00 174.94 174.67 2vae s LYS 9 N 2.86 2.10 0.53 2.79 -0.14 -1.26 -4.96 119.74 121.66 2vae s LYS 9 Ca 0.19 -0.13 0.29 0.00 -1.36 0.00 0.00 55.97 54.96 2vae s LYS 9 Cb -0.17 -2.09 1.49 0.00 -1.68 0.00 0.00 37.83 35.37 2vae s LYS 9 CO 0.14 -1.37 2.07 0.93 -0.76 0.00 0.00 175.35 176.36 2vae h GLU 10 N -0.76 0.00 -4.88 1.68 5.08 -1.96 -3.40 114.58 110.35 2vae h GLU 10 Ca -0.45 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.33 2vae h GLU 10 Cb 1.32 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.24 2vae h GLU 10 CO 0.62 0.10 -0.84 0.12 -1.00 0.00 0.00 179.01 178.01 2vae s PHE 11 N -4.09 1.92 0.00 4.33 5.36 -1.26 -3.71 117.98 120.53 2vae s PHE 11 Ca -0.02 -0.76 -0.01 0.00 -0.96 0.00 0.00 56.93 55.18 2vae s PHE 11 Cb 0.12 -1.34 -0.00 0.00 -0.34 0.00 0.00 43.02 41.46 2vae s PHE 11 CO 0.57 -0.34 0.01 -1.64 -1.46 0.00 0.00 175.22 172.36 2vae s MET 12 N 0.54 0.12 0.34 10.12 -1.94 -0.51 -5.01 119.30 122.95 2vae s MET 12 Ca -0.16 -0.16 0.06 0.00 -1.71 0.00 0.00 55.69 53.72 2vae s MET 12 Cb -0.17 0.04 -0.01 0.00 2.01 0.00 0.00 34.83 36.71 2vae s MET 12 CO 0.06 -0.02 0.48 1.03 -0.01 0.00 0.00 175.02 176.56 2vae s ARG 13 N -0.43 3.15 0.07 2.03 0.52 -1.26 -1.27 118.95 121.76 2vae s ARG 13 Ca -0.05 -0.93 -0.00 0.00 -0.52 0.00 0.00 55.73 54.23 2vae s ARG 13 Cb -0.03 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 2vae s ARG 13 CO -0.00 0.07 -0.03 -0.59 0.02 0.00 0.00 175.30 174.77 2vae s PHE 14 N -2.19 0.66 0.02 -0.53 -0.12 -0.28 -1.24 117.98 114.30 2vae s PHE 14 Ca 0.44 -1.04 0.06 0.00 -0.05 0.00 0.00 56.93 56.35 2vae s PHE 14 Cb -0.10 -0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 41.84 2vae s PHE 14 CO 0.32 -0.32 -0.19 0.15 -0.05 0.00 0.00 175.22 175.13 2vae s LYS 15 N -3.90 1.38 0.02 1.99 1.02 -0.12 -1.01 119.74 119.11 2vae s LYS 15 Ca 0.10 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.31 2vae s LYS 15 Cb 0.07 -1.41 -0.01 0.00 -0.52 0.00 0.00 37.83 35.96 2vae s LYS 15 CO -0.07 0.37 -0.06 0.54 -0.92 0.00 0.00 175.35 175.20 2vae s VAL 16 N -0.64 0.47 -0.02 3.17 0.11 -0.19 -0.33 120.40 122.96 2vae s VAL 16 Ca 0.07 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 2vae s VAL 16 Cb -0.08 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 2vae s VAL 16 CO 0.01 -0.11 -0.06 -0.60 -3.33 0.00 0.00 175.10 171.00 2vae s ARG 17 N -0.78 0.69 -0.05 1.54 3.52 -0.66 -0.63 118.95 122.57 2vae s ARG 17 Ca -0.03 -0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.41 2vae s ARG 17 Cb -0.06 -0.68 -0.00 0.00 -1.56 0.00 0.00 34.95 32.65 2vae s ARG 17 CO 0.00 0.07 -0.18 1.41 -0.81 0.00 0.00 175.30 175.79 2vae s MET 18 N 0.24 1.90 -0.21 5.12 -2.45 0.26 -0.69 119.30 123.46 2vae s MET 18 Ca -0.03 -0.65 -0.03 0.00 -1.25 0.00 0.00 55.69 53.73 2vae s MET 18 Cb -0.07 -1.64 -0.01 0.00 1.25 0.00 0.00 34.83 34.36 2vae s MET 18 CO -0.00 0.26 -0.05 -1.21 1.05 0.00 0.00 175.02 175.06 2vae s GLU 19 N 0.02 3.39 0.15 4.11 2.02 -0.41 -1.30 118.70 126.70 2vae s GLU 19 Ca -0.04 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 2vae s GLU 19 Cb -0.12 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 2vae s GLU 19 CO 0.02 -0.14 0.09 0.20 0.02 0.00 0.00 175.26 175.45 2vae s GLY 20 N 1.31 1.13 -0.03 -1.39 0.00 -0.51 -1.85 107.32 105.98 2vae s GLY 20 Ca 0.04 -1.54 -0.05 0.00 0.00 0.00 0.00 44.72 43.17 2vae s GLY 20 CO -0.02 -1.36 0.13 -0.45 0.00 0.00 0.00 173.10 171.39 2vae s SER 21 N -3.08 -0.08 -0.06 1.64 0.15 -0.55 -0.80 113.70 110.92 2vae s SER 21 Ca 0.29 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 57.05 2vae s SER 21 Cb 0.07 0.26 0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2vae s SER 21 CO 0.05 -0.15 -0.01 -0.69 1.20 0.00 0.00 173.24 173.65 2vae s VAL 22 N -0.38 0.42 -1.62 4.45 1.01 -0.49 -0.52 120.40 123.26 2vae s VAL 22 Ca -0.05 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 2vae s VAL 22 Cb -0.03 -0.53 0.11 0.00 0.00 0.00 0.00 36.38 35.93 2vae s VAL 22 CO 0.00 0.24 0.71 0.59 0.00 0.00 0.00 175.10 176.65 2vae n ASN 23 N 4.79 -2.72 0.00 3.32 4.13 -0.50 -0.84 115.26 123.44 2vae n ASN 23 Ca -0.13 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.14 2vae n ASN 23 Cb 0.50 -2.93 0.00 0.00 -1.54 0.00 0.00 39.78 35.82 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 -1.58 1.40 3.53 7.41 0.00 -1.26 -5.00 105.19 109.68 2vae n GLY 24 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.45 3.14 0.24 1.61 5.04 -0.02 -5.06 115.29 116.80 2vae s HIS 25 Ca 0.00 -0.02 -0.18 0.00 -1.54 0.00 0.00 55.06 53.33 2vae s HIS 25 Cb 0.00 -3.04 -0.08 0.00 0.04 0.00 0.00 32.58 29.49 2vae s HIS 25 CO 0.00 -0.67 0.71 -1.21 -2.34 0.00 0.00 174.74 171.22 2vae s GLU 26 N 2.46 4.16 0.18 2.88 2.02 -1.26 -1.40 118.70 127.74 2vae s GLU 26 Ca 0.18 0.77 -0.18 0.00 0.02 0.00 0.00 54.97 55.77 2vae s GLU 26 Cb -0.15 -2.76 0.03 0.00 0.10 0.00 0.00 34.13 31.34 2vae s GLU 26 CO 0.15 0.34 0.50 -0.59 0.02 0.00 0.00 175.26 175.68 2vae s PHE 27 N -1.64 -0.16 0.01 1.61 -0.12 0.02 -4.40 117.98 113.29 2vae s PHE 27 Ca 0.45 -0.16 0.03 0.00 -0.05 0.00 0.00 56.93 57.20 2vae s PHE 27 Cb -0.15 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.60 2vae s PHE 27 CO 0.20 -0.87 -0.09 -1.21 -0.05 0.00 0.00 175.22 173.21 2vae s GLU 28 N -3.85 0.64 -0.01 1.99 2.02 -0.17 -1.42 118.70 117.90 2vae s GLU 28 Ca 0.07 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.63 2vae s GLU 28 Cb -0.00 -0.58 0.00 0.00 0.10 0.00 0.00 34.13 33.65 2vae s GLU 28 CO -0.05 0.15 -0.05 0.42 0.02 0.00 0.00 175.26 175.75 2vae s ILE 29 N -0.54 0.40 0.10 -1.63 1.01 -0.42 -0.74 121.20 119.38 2vae s ILE 29 Ca -0.00 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.55 2vae s ILE 29 Cb -0.05 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 2vae s ILE 29 CO 0.00 0.13 -0.18 -1.61 0.00 0.00 0.00 174.94 173.28 2vae s GLU 30 N 0.13 1.03 0.15 2.79 2.02 -0.39 -0.57 118.70 123.87 2vae s GLU 30 Ca -0.01 -1.11 -0.13 0.00 0.02 0.00 0.00 54.97 53.73 2vae s GLU 30 Cb -0.05 -1.19 0.05 0.00 0.10 0.00 0.00 34.13 33.04 2vae s GLU 30 CO -0.00 0.27 0.64 0.41 0.02 0.00 0.00 175.26 176.60 2vae n GLY 31 N 1.09 0.96 3.21 -1.39 0.00 0.20 -0.50 105.19 108.75 2vae n GLY 31 Ca -0.20 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 2vae n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vae s GLU 32 N -2.04 0.86 0.36 1.61 2.02 -0.64 -1.02 118.70 119.84 2vae s GLU 32 Ca 0.14 -0.99 -0.11 0.00 0.02 0.00 0.00 54.97 54.04 2vae s GLU 32 Cb -0.02 0.34 0.03 0.00 0.10 0.00 0.00 34.13 34.58 2vae s GLU 32 CO 0.05 -0.27 0.65 0.20 0.02 0.00 0.00 175.26 175.90 2vae s GLY 33 N -2.87 0.80 0.15 -1.39 0.00 -0.18 -0.39 107.32 103.43 2vae s GLY 33 Ca 0.06 -1.04 -0.23 0.00 0.00 0.00 0.00 44.72 43.51 2vae s GLY 33 CO -0.10 -0.58 0.64 -1.83 0.00 0.00 0.00 173.10 171.22 2vae s GLU 34 N -2.75 1.26 0.00 2.90 -1.05 -0.36 -1.13 118.70 117.57 2vae s GLU 34 Ca 0.21 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 2vae s GLU 34 Cb -0.03 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 2vae s GLU 34 CO 0.15 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.21 2vae n GLY 35 N -0.37 -0.71 2.86 -3.83 0.00 -0.40 -0.68 105.19 102.07 2vae n GLY 35 Ca -0.16 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.40 1.46 0.56 1.61 1.81 -0.22 -1.43 118.95 122.34 2vae s ARG 36 Ca 0.00 -2.03 0.26 0.00 -1.72 0.00 0.00 55.73 52.24 2vae s ARG 36 Cb 0.00 -2.80 1.61 0.00 -0.45 0.00 0.00 34.95 33.31 2vae s ARG 36 CO 0.00 -1.06 2.19 -1.35 -0.68 0.00 0.00 175.30 174.39 2vae h PRO 37 N 7.08 0.00 -0.00 3.54 0.11 -1.79 -1.21 132.00 139.73 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 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2vae h PRO 37 CO 0.55 0.03 -0.47 0.66 -0.21 0.00 0.00 178.00 178.57 2vae n TYR 38 N -3.97 0.00 0.53 0.65 4.02 -1.26 -3.93 117.16 113.20 2vae n TYR 38 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.94 2vae n TYR 38 Cb 0.12 -0.25 -0.10 0.00 -0.02 0.00 0.00 39.34 39.09 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 -1.46 1.29 -1.53 -0.72 1.02 -0.54 -4.65 120.64 114.04 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 0.34 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.39 3.23 0.62 0.00 -0.69 -4.68 105.19 105.50 2vae n GLY 40 Ca 0.01 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 1.53 0.03 2.61 -4.23 -1.21 -0.84 115.64 111.53 2vae s THR 41 Ca 0.00 -1.21 -0.27 0.00 -1.18 0.00 0.00 61.69 59.03 2vae s THR 41 Cb 0.00 -1.35 0.09 0.00 1.34 0.00 0.00 72.50 72.58 2vae s THR 41 CO 0.00 0.11 0.77 0.00 -0.54 0.00 0.00 174.62 174.96 2vae s GLN 42 N -1.30 0.99 0.21 3.99 -2.07 -0.70 -1.06 119.66 119.73 2vae s GLN 42 Ca 0.06 -0.24 0.08 0.00 -1.82 0.00 0.00 55.36 53.43 2vae s GLN 42 Cb -0.09 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 2vae s GLN 42 CO 0.02 -0.41 -0.14 0.95 -1.32 0.00 0.00 175.29 174.39 2vae s THR 43 N -2.88 1.75 0.02 3.63 -4.23 0.14 -1.15 115.64 112.91 2vae s THR 43 Ca 0.01 -2.21 -0.06 0.00 -1.18 0.00 0.00 61.69 58.24 2vae s THR 43 Cb -0.01 -2.08 -0.00 0.00 1.34 0.00 0.00 72.50 71.75 2vae s THR 43 CO -0.07 -0.57 0.12 0.00 -0.54 0.00 0.00 174.62 173.56 2vae s ALA 44 N -2.97 -0.22 -0.09 3.99 0.00 -0.64 -1.22 121.76 120.60 2vae s ALA 44 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 2vae s ALA 44 Cb -0.01 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2vae s ALA 44 CO 0.07 -0.24 -0.06 0.21 0.00 0.00 0.00 175.76 175.74 2vae s LYS 45 N -1.77 1.32 0.09 0.00 2.20 0.47 -0.91 119.74 121.14 2vae s LYS 45 Ca -0.12 -0.19 0.09 0.00 -0.36 0.00 0.00 55.97 55.38 2vae s LYS 45 Cb -0.06 -1.39 -0.04 0.00 -1.51 0.00 0.00 37.83 34.84 2vae s LYS 45 CO -0.00 -0.22 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.07 2vae s LEU 46 N 1.56 2.64 -0.05 5.43 2.01 -0.00 -1.63 118.68 128.64 2vae s LEU 46 Ca 0.01 -0.53 0.00 0.00 0.01 0.00 0.00 54.13 53.62 2vae s LEU 46 Cb -0.13 -1.51 0.02 0.00 0.01 0.00 0.00 46.19 44.58 2vae s LEU 46 CO -0.05 0.20 -0.03 -0.54 1.01 0.00 0.00 176.35 176.94 2vae s LYS 47 N -1.91 0.75 -0.10 1.70 1.02 0.35 -1.53 119.74 120.02 2vae s LYS 47 Ca 0.17 -0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.83 2vae s LYS 47 Cb -0.10 -0.88 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 2vae s LYS 47 CO 0.08 -0.16 1.50 0.08 -0.92 0.00 0.00 175.35 175.94 2vae s VAL 48 N 1.28 3.85 -0.20 3.17 1.01 -0.01 -1.26 120.40 128.24 2vae s VAL 48 Ca -0.05 1.03 0.13 0.00 0.00 0.00 0.00 61.98 63.09 2vae s VAL 48 Cb -0.14 -3.67 -0.19 0.00 0.00 0.00 0.00 36.38 32.39 2vae s VAL 48 CO -0.02 -0.10 0.38 0.35 0.00 0.00 0.00 175.10 175.71 2vae n THR 49 N 5.47 0.00 -3.73 3.92 -2.24 0.08 -4.87 114.28 112.91 2vae n THR 49 Ca 0.16 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 2vae n THR 49 Cb 0.44 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.73 0.51 0.00 -0.78 2.20 -1.04 -4.93 119.74 112.97 2vae s LYS 50 Ca -0.02 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 2vae s LYS 50 Cb 0.09 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 2vae s LYS 50 CO 0.56 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.90 2vae n GLY 51 N 2.84 0.55 3.92 5.54 0.00 -1.26 -1.00 105.19 115.79 2vae n GLY 51 Ca -0.13 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.29 1.59 0.48 -0.02 0.00 -1.26 -4.14 107.32 101.68 2vae s GLY 52 Ca 0.00 -0.72 -0.22 0.00 0.00 0.00 0.00 44.72 43.78 2vae s GLY 52 CO 0.00 -0.63 1.12 2.56 0.00 0.00 0.00 173.10 176.15 2vae s PRO 53 N -3.99 3.71 0.24 2.90 0.04 -1.26 -5.11 135.00 131.54 2vae s PRO 53 Ca 0.42 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 2vae s PRO 53 Cb -0.10 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 2vae s PRO 53 CO 0.34 -0.56 1.09 -0.51 0.04 0.00 0.00 177.00 177.40 2vae s LEU 54 N -3.24 4.54 -0.11 -3.56 1.43 -1.26 -4.94 118.68 111.54 2vae s LEU 54 Ca 0.66 2.19 0.04 0.00 -1.03 0.00 0.00 54.13 55.99 2vae s LEU 54 Cb -0.25 -3.62 0.29 0.00 0.03 0.00 0.00 46.19 42.65 2vae s LEU 54 CO 0.30 -0.14 1.05 -0.81 0.23 0.00 0.00 176.35 176.97 2vae n PRO 55 N 1.61 2.22 -4.08 1.29 -0.04 -1.26 -4.90 135.00 129.84 2vae n PRO 55 Ca 0.00 -1.15 -0.11 0.00 -0.04 0.00 0.00 63.50 62.20 2vae n PRO 55 Cb 0.45 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.55 0.74 0.13 0.54 -0.12 -1.26 -4.68 117.98 111.79 2vae s PHE 56 Ca 0.20 -1.03 -0.31 0.00 -0.05 0.00 0.00 56.93 55.74 2vae s PHE 56 Cb 0.16 -0.12 -0.10 0.00 -0.63 0.00 0.00 43.02 42.33 2vae s PHE 56 CO 0.05 -0.88 1.65 0.00 -0.05 0.00 0.00 175.22 175.99 2vae s ALA 57 N -3.95 3.77 0.36 1.99 0.00 0.03 -4.90 121.76 119.06 2vae s ALA 57 Ca 0.29 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.70 2vae s ALA 57 Cb 0.02 -3.68 0.80 0.00 0.00 0.00 0.00 23.12 20.27 2vae s ALA 57 CO 0.12 -0.96 1.91 2.35 0.00 0.00 0.00 175.76 179.17 2vae h TRP 58 N 7.53 0.78 -0.73 0.00 2.91 -1.95 -2.95 115.95 121.54 2vae h TRP 58 Ca -0.43 0.02 0.19 0.00 1.13 0.00 0.00 58.89 59.80 2vae h TRP 58 Cb 1.20 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 29.57 2vae h TRP 58 CO 0.71 0.34 0.51 -0.44 -1.03 0.00 0.00 178.44 178.53 2vae h ASP 59 N 0.70 0.10 0.65 2.65 3.32 -1.95 0.22 116.42 122.11 2vae h ASP 59 Ca 0.39 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 2vae h ASP 59 Cb 0.56 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 2vae h ASP 59 CO -0.16 0.05 -0.08 0.16 -1.72 0.00 0.00 179.24 177.49 2vae h ILE 60 N 0.10 0.27 0.00 0.35 3.07 -1.92 -2.98 117.51 116.39 2vae h ILE 60 Ca 0.35 -0.55 -0.19 0.00 1.55 0.00 0.00 64.86 66.03 2vae h ILE 60 Cb 1.24 1.43 -0.03 0.00 -0.27 0.00 0.00 36.82 39.19 2vae h ILE 60 CO -0.04 0.08 -1.38 -0.07 -1.05 0.00 0.00 178.15 175.68 2vae h LEU 61 N 0.00 0.00 -0.95 0.16 3.38 -0.76 -3.41 115.31 113.73 2vae h LEU 61 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2vae h LEU 61 Cb 0.42 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 2vae h LEU 61 CO 0.01 0.67 0.59 0.77 0.09 0.00 0.00 178.44 180.57 2vae h SER 62 N 0.00 0.88 0.00 -0.43 4.64 -1.35 0.11 113.55 117.40 2vae h SER 62 Ca -0.17 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2vae h SER 62 Cb 1.66 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 2vae h SER 62 CO 0.06 0.50 0.00 -2.65 -0.87 0.00 0.00 176.83 173.87 2vae n PRO 63 N -4.63 0.91 0.02 4.77 -0.02 -1.26 -2.81 135.00 131.99 2vae n PRO 63 Ca 0.16 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.75 2vae n PRO 63 Cb 0.29 -1.32 -0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 -0.82 0.26 -1.53 -0.52 1.13 0.39 -4.80 117.38 111.49 2vae n GLN 64 Ca 0.14 -0.02 -0.32 0.00 -1.94 0.00 0.00 57.00 54.86 2vae n GLN 64 Cb 0.06 -1.57 -0.05 0.00 0.11 0.00 0.00 30.24 28.79 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 -1.89 1.91 0.00 1.08 3.72 -1.12 -5.00 117.46 116.15 2vae n PHE 65 Ca 0.02 -2.50 0.00 0.00 -0.05 0.00 0.00 57.45 54.92 2vae n PHE 65 Cb 0.43 -1.89 0.00 0.00 -0.94 0.00 0.00 39.48 37.07 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 2.21 0.00 -0.16 4.37 2.88 -1.26 -5.08 113.62 116.58 2vae n SER 69 Ca 0.61 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.25 2vae n SER 69 Cb 0.42 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.40 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 1.21 0.21 -1.46 4.76 -1.26 -2.33 118.16 119.29 2vae n LYS 70 Ca 0.00 -0.31 0.15 0.00 -2.87 0.00 0.00 58.31 55.28 2vae n LYS 70 Cb 0.00 -1.33 0.69 0.00 -1.84 0.00 0.00 35.03 32.55 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 0.64 0.00 -0.00 -0.18 3.04 -1.96 -2.96 116.25 114.82 2vae h VAL 71 Ca 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2vae h VAL 71 Cb 0.14 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2vae h VAL 71 CO 0.00 0.00 -0.10 -1.22 -1.01 0.00 0.00 177.57 175.24 2vae n TYR 72 N -2.62 0.00 -2.05 3.17 4.01 -0.98 -4.76 117.16 113.92 2vae n TYR 72 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2vae n TYR 72 Cb 0.18 -0.14 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 -2.38 2.90 -0.06 -0.72 1.01 -1.12 -2.64 120.40 117.39 2vae s VAL 73 Ca 0.31 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 2vae s VAL 73 Cb 0.20 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2vae s VAL 73 CO 0.45 0.07 1.34 -0.75 0.00 0.00 0.00 175.10 176.21 2vae s LYS 74 N 0.70 4.28 -0.06 2.72 2.20 -0.79 -4.75 119.74 124.04 2vae s LYS 74 Ca 0.65 1.84 0.05 0.00 -0.36 0.00 0.00 55.97 58.14 2vae s LYS 74 Cb -0.40 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2vae s LYS 74 CO 0.34 -0.60 -0.19 -1.01 -0.36 0.00 0.00 175.35 173.53 2vae s HIS 75 N 2.81 2.58 0.70 4.03 3.76 -1.26 0.25 115.29 128.16 2vae s HIS 75 Ca 0.60 -0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 54.98 2vae s HIS 75 Cb -0.27 -1.63 0.02 0.00 1.11 0.00 0.00 32.58 31.81 2vae s HIS 75 CO 0.23 0.00 1.10 -1.25 -0.85 0.00 0.00 174.74 173.97 2vae s PRO 76 N -0.44 2.62 0.54 8.40 0.04 -1.26 -4.92 135.00 139.98 2vae s PRO 76 Ca 0.05 1.30 0.25 0.00 0.04 0.00 0.00 61.00 62.64 2vae s PRO 76 Cb -0.12 -1.93 1.41 0.00 0.04 0.00 0.00 34.50 33.90 2vae s PRO 76 CO 0.02 -1.38 2.01 0.00 0.04 0.00 0.00 177.00 177.69 2vae h ALA 77 N -0.38 2.39 -0.09 8.56 0.00 -2.00 -1.89 119.26 125.86 2vae h ALA 77 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2vae h ALA 77 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2vae h ALA 77 CO 0.53 -0.58 0.00 -0.40 0.00 0.00 0.00 179.25 178.81 2vae n ASP 78 N -4.32 1.11 -4.12 0.00 5.75 -1.26 -4.66 116.55 109.05 2vae n ASP 78 Ca 0.08 -1.55 -0.33 0.00 -0.01 0.00 0.00 54.79 52.98 2vae n ASP 78 Cb 0.55 -0.05 -0.15 0.00 -1.03 0.00 0.00 41.12 40.43 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 -1.89 2.44 0.15 2.12 1.01 -0.71 -5.03 121.20 119.28 2vae s ILE 79 Ca 0.33 -1.35 -0.34 0.00 0.00 0.00 0.00 60.65 59.29 2vae s ILE 79 Cb 0.17 -2.32 -0.15 0.00 0.01 0.00 0.00 42.46 40.17 2vae s ILE 79 CO 0.27 0.10 1.46 -2.65 0.00 0.00 0.00 174.94 174.12 2vae n PRO 80 N 4.54 1.80 -2.99 2.79 -0.02 -1.26 -4.66 135.00 135.20 2vae n PRO 80 Ca -0.16 0.65 -0.44 0.00 -2.02 0.00 0.00 63.50 61.53 2vae n PRO 80 Cb 0.45 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.90 5.73 -0.28 2.55 -0.08 -1.26 -4.29 116.55 121.82 2vae n ASP 81 Ca 0.16 -3.17 0.09 0.00 -1.51 0.00 0.00 54.79 50.36 2vae n ASP 81 Cb 0.26 -1.39 0.23 0.00 2.34 0.00 0.00 41.12 42.56 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 6.14 0.17 -0.42 -0.67 3.20 -1.90 0.45 116.97 123.93 2vae h TYR 82 Ca 0.25 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 62.05 2vae h TYR 82 Cb 0.74 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2vae h TYR 82 CO 0.98 -0.22 -0.20 0.87 -1.64 0.00 0.00 178.16 177.96 2vae h LYS 83 N 0.16 0.88 -0.68 1.82 1.57 -1.91 -1.99 116.57 116.43 2vae h LYS 83 Ca 0.49 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2vae h LYS 83 Cb 0.93 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 2vae h LYS 83 CO -0.66 1.03 0.13 0.87 -0.57 0.00 0.00 179.45 180.24 2vae h LYS 84 N 0.70 1.11 0.00 3.15 1.57 -1.58 -2.90 116.57 118.62 2vae h LYS 84 Ca 0.09 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2vae h LYS 84 Cb 0.76 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 2vae h LYS 84 CO 0.06 1.00 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.82 2vae h LEU 85 N 1.04 0.00 -0.76 2.94 3.38 -0.59 -2.45 115.31 118.87 2vae h LEU 85 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2vae h LEU 85 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2vae h LEU 85 CO 0.01 0.05 0.00 0.77 0.09 0.00 0.00 178.44 179.36 2vae h SER 86 N 0.00 0.00 -3.75 -0.43 4.64 -1.15 -3.45 113.55 109.41 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 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2vae h SER 86 CO 0.01 0.00 0.15 -0.36 -0.87 0.00 0.00 176.83 175.76 2vae s PHE 87 N -3.35 3.50 0.23 4.77 0.40 -0.92 -0.57 117.98 122.03 2vae s PHE 87 Ca 0.04 1.05 0.30 0.00 -0.60 0.00 0.00 56.93 57.72 2vae s PHE 87 Cb 0.09 -2.46 1.33 0.00 0.51 0.00 0.00 43.02 42.49 2vae s PHE 87 CO 0.42 -0.20 1.98 -1.00 0.70 0.00 0.00 175.22 177.12 2vae h PRO 88 N 0.93 0.00 -0.37 0.24 0.13 -1.89 -3.45 132.00 127.59 2vae h PRO 88 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2vae h PRO 88 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2vae h PRO 88 CO 0.63 0.10 0.02 1.49 -0.23 0.00 0.00 178.00 180.01 2vae h GLU 89 N 0.00 0.64 0.00 0.86 4.81 -1.92 -3.35 114.58 115.61 2vae h GLU 89 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2vae h GLU 89 Cb 0.51 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2vae h GLU 89 CO 0.01 0.73 0.00 0.41 -0.73 0.00 0.00 179.01 179.43 2vae n GLY 90 N -0.40 -1.32 3.37 1.92 0.00 0.26 -4.53 105.19 104.49 2vae n GLY 90 Ca -0.01 -2.08 -0.09 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 0.22 0.18 1.61 -0.71 -0.86 -1.42 117.98 117.01 2vae s PHE 91 Ca 0.00 -0.59 0.08 0.00 -1.04 0.00 0.00 56.93 55.39 2vae s PHE 91 Cb 0.00 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2vae s PHE 91 CO 0.00 -0.75 -0.04 0.15 -1.34 0.00 0.00 175.22 173.24 2vae s LYS 92 N -3.93 2.24 0.03 1.99 1.02 0.14 -0.60 119.74 120.63 2vae s LYS 92 Ca 0.13 -1.21 0.02 0.00 0.02 0.00 0.00 55.97 54.94 2vae s LYS 92 Cb 0.02 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.06 2vae s LYS 92 CO -0.02 0.44 -0.08 1.67 -0.92 0.00 0.00 175.35 176.44 2vae s TRP 93 N -1.76 0.68 0.17 3.18 1.48 -0.54 -0.00 118.94 122.14 2vae s TRP 93 Ca 0.27 -0.38 0.06 0.00 -1.06 0.00 0.00 56.10 54.99 2vae s TRP 93 Cb -0.09 -0.41 -0.04 0.00 -1.16 0.00 0.00 33.47 31.77 2vae s TRP 93 CO 0.17 -0.05 -0.13 -1.21 -4.06 0.00 0.00 176.95 171.67 2vae s GLU 94 N -1.17 1.17 -0.08 3.25 2.02 -0.08 -0.80 118.70 123.02 2vae s GLU 94 Ca -0.06 -1.47 -0.22 0.00 0.02 0.00 0.00 54.97 53.24 2vae s GLU 94 Cb -0.08 -0.89 0.05 0.00 0.10 0.00 0.00 34.13 33.31 2vae s GLU 94 CO 0.00 0.14 0.52 0.50 0.02 0.00 0.00 175.26 176.45 2vae s ARG 95 N -3.50 0.82 -0.07 1.61 3.52 -0.62 -0.82 118.95 119.89 2vae s ARG 95 Ca 0.18 0.23 0.04 0.00 -0.13 0.00 0.00 55.73 56.05 2vae s ARG 95 Cb -0.00 0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 33.75 2vae s ARG 95 CO 0.04 -0.22 -0.19 0.14 -0.81 0.00 0.00 175.30 174.26 2vae s VAL 96 N -0.86 2.61 -0.19 7.11 -7.23 0.07 -1.28 120.40 120.63 2vae s VAL 96 Ca -0.09 -0.86 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 2vae s VAL 96 Cb -0.03 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 2vae s VAL 96 CO 0.06 0.57 -0.09 -0.04 -0.31 0.00 0.00 175.10 175.28 2vae s MET 97 N -0.22 3.34 -0.35 4.82 -1.94 -0.30 -0.94 119.30 123.72 2vae s MET 97 Ca -0.01 -0.67 -0.08 0.00 -1.71 0.00 0.00 55.69 53.23 2vae s MET 97 Cb -0.13 -2.84 0.03 0.00 2.01 0.00 0.00 34.83 33.90 2vae s MET 97 CO 0.03 -0.07 0.13 -0.80 -0.01 0.00 0.00 175.02 174.31 2vae s ASN 98 N 1.09 5.42 0.19 3.03 0.01 -0.14 -1.28 114.94 123.26 2vae s ASN 98 Ca 0.01 -1.08 -0.13 0.00 -0.71 0.00 0.00 52.86 50.94 2vae s ASN 98 Cb -0.15 -1.91 -0.07 0.00 0.41 0.00 0.00 41.25 39.53 2vae s ASN 98 CO -0.02 -0.34 0.58 -0.36 -1.51 0.00 0.00 177.10 175.45 2vae s PHE 99 N 1.45 3.54 0.46 2.20 0.40 -0.28 -0.86 117.98 124.88 2vae s PHE 99 Ca -0.01 1.05 0.33 0.00 -0.60 0.00 0.00 56.93 57.70 2vae s PHE 99 Cb -0.19 -2.37 1.73 0.00 0.51 0.00 0.00 43.02 42.69 2vae s PHE 99 CO 0.04 0.35 2.16 1.05 0.70 0.00 0.00 175.22 179.52 2vae h GLU 100 N 3.16 0.00 -0.64 0.44 4.11 -1.50 -1.17 114.58 118.98 2vae h GLU 100 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2vae h GLU 100 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2vae h GLU 100 CO 0.67 0.06 0.00 -0.40 0.07 0.00 0.00 179.01 179.40 2vae n ASP 101 N -3.47 4.11 0.00 3.06 5.75 -1.26 -4.94 116.55 119.80 2vae n ASP 101 Ca -0.02 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 2vae n ASP 101 Cb 0.18 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 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 1.14 0.29 3.74 6.12 0.00 -0.44 -4.61 105.19 111.43 2vae n GLY 102 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 2vae n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vae n GLY 103 N -1.66 0.79 2.84 -0.02 0.00 -1.18 -4.73 105.19 101.23 2vae n GLY 103 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2vae n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vae s VAL 104 N -1.26 -0.03 -0.03 1.61 1.01 -0.33 -1.13 120.40 120.25 2vae s VAL 104 Ca 0.67 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.82 2vae s VAL 104 Cb -0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 2vae s VAL 104 CO 0.53 0.05 -0.18 -0.69 0.00 0.00 0.00 175.10 174.81 2vae s VAL 105 N 0.57 1.42 0.10 2.92 1.01 -0.40 -0.86 120.40 125.15 2vae s VAL 105 Ca -0.05 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2vae s VAL 105 Cb -0.07 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2vae s VAL 105 CO -0.02 0.40 -0.13 0.42 0.00 0.00 0.00 175.10 175.77 2vae s THR 106 N -0.23 3.15 0.01 3.92 -4.23 -0.62 -1.15 115.64 116.49 2vae s THR 106 Ca 0.02 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2vae s THR 106 Cb -0.09 -2.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 2vae s THR 106 CO 0.00 0.14 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.49 2vae s VAL 107 N -1.15 0.33 -0.01 2.29 1.01 -0.40 -1.47 120.40 120.99 2vae s VAL 107 Ca 0.19 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2vae s VAL 107 Cb -0.11 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2vae s VAL 107 CO 0.11 -0.15 -0.04 0.28 0.00 0.00 0.00 175.10 175.30 2vae s THR 108 N -0.69 0.39 -0.04 3.92 -1.32 -0.32 -1.59 115.64 115.99 2vae s THR 108 Ca -0.05 -0.17 -0.04 0.00 -1.21 0.00 0.00 61.69 60.22 2vae s THR 108 Cb -0.05 -0.36 0.01 0.00 -1.51 0.00 0.00 72.50 70.58 2vae s THR 108 CO -0.00 0.13 0.12 -1.58 -2.21 0.00 0.00 174.62 171.08 2vae s GLN 109 N 0.17 0.17 -0.10 7.08 -0.44 0.02 -0.71 119.66 125.85 2vae s GLN 109 Ca -0.02 0.13 0.04 0.00 -2.50 0.00 0.00 55.36 53.01 2vae s GLN 109 Cb -0.05 0.08 -0.00 0.00 -1.64 0.00 0.00 33.01 31.39 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 -0.04 3.24 -0.18 6.67 -1.08 -0.12 -1.47 116.67 123.70 2vae s ASP 110 Ca -0.01 -0.51 0.01 0.00 -0.52 0.00 0.00 52.55 51.52 2vae s ASP 110 Cb -0.01 -1.32 0.01 0.00 -1.46 0.00 0.00 42.92 40.14 2vae s ASP 110 CO 0.00 0.18 -0.18 -0.44 0.52 0.00 0.00 175.17 175.25 2vae s SER 111 N 0.23 3.28 0.12 -0.34 0.01 0.23 -1.29 113.70 115.94 2vae s SER 111 Ca -0.14 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.53 2vae s SER 111 Cb -0.17 -1.51 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 2vae s SER 111 CO 0.07 0.02 0.06 -1.54 0.41 0.00 0.00 173.24 172.26 2vae n SER 112 N 4.52 0.64 -3.74 2.44 3.41 -0.29 -2.02 113.62 118.59 2vae n SER 112 Ca -0.20 -1.67 -0.15 0.00 -0.26 0.00 0.00 58.87 56.59 2vae n SER 112 Cb 0.50 0.38 -0.16 0.00 -0.26 0.00 0.00 64.21 64.67 2vae n SER 112 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2vae s LEU 113 N 0.00 0.67 -0.15 1.04 2.96 -1.26 -0.65 118.68 121.29 2vae s LEU 113 Ca 0.08 0.18 -0.14 0.00 -0.22 0.00 0.00 54.13 54.03 2vae s LEU 113 Cb 0.00 0.13 0.04 0.00 0.50 0.00 0.00 46.19 46.86 2vae s LEU 113 CO 0.06 -0.17 0.41 -1.58 -1.32 0.00 0.00 176.35 173.75 2vae s GLN 114 N 1.41 0.47 -1.13 1.98 0.74 -0.00 -4.87 119.66 118.26 2vae s GLN 114 Ca -0.06 0.58 -0.01 0.00 0.05 0.00 0.00 55.36 55.93 2vae s GLN 114 Cb -0.12 0.21 0.01 0.00 1.10 0.00 0.00 33.01 34.21 2vae s GLN 114 CO -0.04 -0.06 0.07 -0.25 -0.55 0.00 0.00 175.29 174.45 2vae n ASP 115 N 2.97 -4.06 -0.35 6.67 8.00 -1.26 -0.91 116.55 127.61 2vae n ASP 115 Ca -0.14 0.11 -0.05 0.00 0.71 0.00 0.00 54.79 55.43 2vae n ASP 115 Cb 0.57 -3.43 -0.02 0.00 -0.02 0.00 0.00 41.12 38.22 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 -0.87 0.66 3.34 0.44 0.00 -1.26 -5.02 105.19 102.48 2vae n GLY 116 Ca -0.14 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.62 3.06 -0.17 0.00 0.08 -0.37 -0.82 117.98 119.13 2vae s PHE 118 Ca 0.10 1.57 0.01 0.00 0.12 0.00 0.00 56.93 58.72 2vae s PHE 118 Cb -0.10 -3.34 0.03 0.00 -0.57 0.00 0.00 43.02 39.04 2vae s PHE 118 CO -0.01 -1.22 -0.14 0.42 -0.10 0.00 0.00 175.22 174.17 2vae s ILE 119 N -1.49 1.68 -0.16 0.64 -1.09 0.18 -0.95 121.20 120.01 2vae s ILE 119 Ca 0.59 -0.82 -0.03 0.00 -2.23 0.00 0.00 60.65 58.16 2vae s ILE 119 Cb -0.28 -1.63 -0.02 0.00 -1.58 0.00 0.00 42.46 38.95 2vae s ILE 119 CO 0.35 0.37 -0.05 -0.31 -1.23 0.00 0.00 174.94 174.07 2vae s TYR 120 N 1.42 2.98 -0.13 3.97 2.02 0.55 -1.13 117.35 127.02 2vae s TYR 120 Ca 0.03 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 2vae s TYR 120 Cb -0.14 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.49 2vae s TYR 120 CO -0.10 -0.11 -0.15 0.15 -1.57 0.00 0.00 175.55 173.77 2vae s LYS 121 N 0.45 2.34 -0.05 -0.62 1.02 -0.41 -1.66 119.74 120.81 2vae s LYS 121 Ca -0.05 -0.59 0.05 0.00 0.02 0.00 0.00 55.97 55.40 2vae s LYS 121 Cb -0.15 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.11 2vae s LYS 121 CO 0.03 -0.15 -0.19 0.08 -0.92 0.00 0.00 175.35 174.20 2vae s VAL 122 N 1.22 1.60 -0.04 3.17 1.01 0.13 -0.94 120.40 126.56 2vae s VAL 122 Ca -0.01 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.22 2vae s VAL 122 Cb -0.14 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2vae s VAL 122 CO -0.06 0.46 -0.24 -0.54 0.00 0.00 0.00 175.10 174.71 2vae s LYS 123 N -0.02 2.20 -0.03 2.72 1.02 0.11 -1.28 119.74 124.46 2vae s LYS 123 Ca -0.04 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 2vae s LYS 123 Cb -0.12 -1.98 0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2vae s LYS 123 CO 0.03 0.43 0.06 0.12 -0.92 0.00 0.00 175.35 175.07 2vae s PHE 124 N -0.33 0.02 -0.13 3.18 2.19 -0.77 -1.17 117.98 120.96 2vae s PHE 124 Ca 0.02 0.23 0.00 0.00 0.33 0.00 0.00 56.93 57.51 2vae s PHE 124 Cb -0.11 -0.31 0.02 0.00 -1.31 0.00 0.00 43.02 41.30 2vae s PHE 124 CO 0.01 -0.14 -0.11 0.42 1.83 0.00 0.00 175.22 177.23 2vae s ILE 125 N 1.53 1.30 -0.09 3.12 1.01 -0.54 -1.48 121.20 126.05 2vae s ILE 125 Ca -0.03 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.19 2vae s ILE 125 Cb -0.12 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 2vae s ILE 125 CO -0.03 0.41 -0.21 -0.83 0.00 0.00 0.00 174.94 174.28 2vae s GLY 126 N 1.57 1.38 0.09 6.18 0.00 0.32 -1.59 107.32 115.26 2vae s GLY 126 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2vae s GLY 126 CO -0.09 -0.41 -0.04 -1.34 0.00 0.00 0.00 173.10 171.22 2vae s VAL 127 N 0.14 0.46 -0.91 1.40 -7.23 -0.04 -1.41 120.40 112.81 2vae s VAL 127 Ca -0.11 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2vae s VAL 127 Cb -0.16 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.10 2vae s VAL 127 CO 0.06 -0.87 0.00 -3.20 -0.31 0.00 0.00 175.10 170.79 2vae n ASN 128 N -0.00 -3.61 -4.69 4.85 5.15 -1.26 -1.19 115.26 114.51 2vae n ASN 128 Ca -0.12 0.07 -0.42 0.00 -0.60 0.00 0.00 54.58 53.51 2vae n ASN 128 Cb 0.61 -2.57 -0.03 0.00 -0.53 0.00 0.00 39.78 37.27 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 -2.45 3.50 0.35 1.20 0.08 -1.26 -3.09 117.98 116.31 2vae s PHE 129 Ca 0.00 1.56 -0.28 0.00 0.12 0.00 0.00 56.93 58.33 2vae s PHE 129 Cb 0.00 -3.21 -0.12 0.00 -0.57 0.00 0.00 43.02 39.12 2vae s PHE 129 CO 0.00 -0.35 1.44 -2.30 -0.10 0.00 0.00 175.22 173.91 2vae n PRO 130 N 4.74 2.49 0.26 0.24 -0.02 -1.26 -4.86 135.00 136.58 2vae n PRO 130 Ca 0.08 0.87 0.11 0.00 -2.02 0.00 0.00 63.50 62.55 2vae n PRO 130 Cb 0.49 -2.57 0.73 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.15 0.00 -0.64 2.55 4.64 -1.99 -1.72 113.55 119.54 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2vae h SER 131 CO 0.66 0.09 0.00 -0.90 -0.87 0.00 0.00 176.83 175.81 2vae n ASP 132 N -3.93 3.82 -4.60 4.97 5.75 -1.26 -4.50 116.55 116.80 2vae n ASP 132 Ca -0.02 -2.00 -0.28 0.00 -0.01 0.00 0.00 54.79 52.48 2vae n ASP 132 Cb 0.18 -0.43 0.12 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.11 1.69 0.51 6.12 0.00 -0.65 -4.83 107.32 109.06 2vae s GLY 133 Ca 0.46 -0.98 0.27 0.00 0.00 0.00 0.00 44.72 44.47 2vae s GLY 133 CO 0.32 -0.39 2.04 -0.56 0.00 0.00 0.00 173.10 174.51 2vae h PRO 134 N -1.17 0.00 0.17 2.90 0.13 -1.95 -1.19 132.00 130.89 2vae h PRO 134 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2vae h PRO 134 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2vae h PRO 134 CO 0.53 0.14 -0.08 0.28 -0.23 0.00 0.00 178.00 178.63 2vae h VAL 135 N 0.00 0.71 0.00 1.56 2.07 -1.93 0.11 116.25 118.77 2vae h VAL 135 Ca -0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2vae h VAL 135 Cb 0.39 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2vae h VAL 135 CO 0.02 0.19 0.00 0.24 0.02 0.00 0.00 177.57 178.04 2vae h MET 136 N -0.92 0.00 -0.22 1.57 2.86 -1.75 0.18 114.93 116.65 2vae h MET 136 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2vae h MET 136 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2vae h MET 136 CO 0.04 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.05 2vae n GLN 137 N -3.01 2.09 -3.47 1.72 1.13 -0.46 -4.62 117.38 110.76 2vae n GLN 137 Ca 0.01 -1.94 -0.18 0.00 -1.94 0.00 0.00 57.00 52.94 2vae n GLN 137 Cb 0.29 -1.41 0.07 0.00 0.11 0.00 0.00 30.24 29.30 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 1.18 -5.08 -0.17 -1.09 5.02 -0.67 -4.92 118.16 112.43 2vae n LYS 138 Ca 0.15 0.78 0.09 0.00 -2.02 0.00 0.00 58.31 57.31 2vae n LYS 138 Cb 0.52 -5.61 0.18 0.00 -0.02 0.00 0.00 35.03 30.10 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 -3.99 2.29 -3.29 1.97 4.76 0.30 -4.99 118.16 115.22 2vae n LYS 139 Ca -0.24 -2.09 -0.28 0.00 -2.87 0.00 0.00 58.31 52.83 2vae n LYS 139 Cb 0.66 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.41 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 -1.24 5.01 -0.34 -0.18 -4.23 -1.26 -0.54 115.64 112.86 2vae s THR 140 Ca 0.32 0.05 0.16 0.00 -1.18 0.00 0.00 61.69 61.04 2vae s THR 140 Cb 0.18 -3.75 0.46 0.00 1.34 0.00 0.00 72.50 70.73 2vae s THR 140 CO 0.25 -0.37 0.99 0.23 -0.54 0.00 0.00 174.62 175.19 2vae n MET 141 N -1.07 1.64 0.00 3.99 0.00 0.10 -4.77 117.12 117.01 2vae n MET 141 Ca -0.02 -3.52 0.00 0.00 0.00 0.00 0.00 57.70 54.17 2vae n MET 141 Cb 0.54 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.29 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 -0.18 0.90 3.84 3.03 0.00 -1.26 -4.58 105.19 106.94 2vae n GLY 142 Ca 0.15 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.66 3.51 0.61 1.61 0.52 -1.26 -0.96 118.94 120.30 2vae s TRP 143 Ca 0.00 1.17 -0.18 0.00 0.02 0.00 0.00 56.10 57.11 2vae s TRP 143 Cb 0.00 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.82 2vae s TRP 143 CO 0.00 0.27 1.15 -1.21 0.02 0.00 0.00 176.95 177.18 2vae s GLU 144 N -2.45 2.99 0.75 4.98 0.41 -0.24 -4.86 118.70 120.28 2vae s GLU 144 Ca 0.46 1.62 -0.15 0.00 -0.41 0.00 0.00 54.97 56.49 2vae s GLU 144 Cb -0.13 -1.95 0.05 0.00 -1.78 0.00 0.00 34.13 30.31 2vae s GLU 144 CO 0.19 -1.14 1.24 -1.25 -0.49 0.00 0.00 175.26 173.81 2vae s PRO 145 N -3.58 1.99 0.27 0.39 0.04 -1.26 -4.78 135.00 128.07 2vae s PRO 145 Ca 0.72 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.66 2vae s PRO 145 Cb -0.25 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2vae s PRO 145 CO 0.34 -1.98 0.13 -1.54 0.04 0.00 0.00 177.00 174.00 2vae s SER 146 N -1.87 1.14 -0.09 6.66 1.04 0.02 -4.97 113.70 115.63 2vae s SER 146 Ca 0.77 -1.47 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 2vae s SER 146 Cb -0.32 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.15 2vae s SER 146 CO 0.46 -0.82 0.11 -0.89 0.98 0.00 0.00 173.24 173.07 2vae s THR 147 N -3.77 -0.16 0.03 2.02 2.01 -1.26 -1.05 115.64 113.47 2vae s THR 147 Ca 0.37 0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.47 2vae s THR 147 Cb 0.06 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 2vae s THR 147 CO 0.15 0.06 0.46 -0.70 -0.69 0.00 0.00 174.62 173.90 2vae s GLU 148 N 2.21 4.00 -0.28 4.92 2.12 0.33 -4.55 118.70 127.44 2vae s GLU 148 Ca 0.04 0.50 -0.09 0.00 0.36 0.00 0.00 54.97 55.78 2vae s GLU 148 Cb -0.13 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2vae s GLU 148 CO -0.06 0.66 0.14 0.50 -0.54 0.00 0.00 175.26 175.96 2vae s ARG 149 N -1.18 3.60 0.14 4.30 3.00 -0.17 -1.42 118.95 127.22 2vae s ARG 149 Ca 0.26 -0.54 0.08 0.00 -1.00 0.00 0.00 55.73 54.54 2vae s ARG 149 Cb -0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 34.95 31.22 2vae s ARG 149 CO 0.16 -0.28 -0.12 -0.51 0.00 0.00 0.00 175.30 174.54 2vae s LEU 150 N 1.65 2.90 0.06 -0.88 1.02 0.23 -1.22 118.68 122.46 2vae s LEU 150 Ca 0.06 -0.51 -0.24 0.00 0.02 0.00 0.00 54.13 53.45 2vae s LEU 150 Cb -0.16 -1.68 0.06 0.00 0.02 0.00 0.00 46.19 44.43 2vae s LEU 150 CO 0.07 0.15 0.58 -0.72 0.02 0.00 0.00 176.35 176.45 2vae s TYR 151 N -1.37 -0.51 0.23 0.29 1.13 -0.49 -1.37 117.35 115.26 2vae s TYR 151 Ca 0.21 0.57 -0.25 0.00 -1.41 0.00 0.00 57.07 56.20 2vae s TYR 151 Cb -0.10 0.43 -0.09 0.00 -1.10 0.00 0.00 41.96 41.10 2vae s TYR 151 CO 0.13 -0.71 0.83 -1.25 -2.51 0.00 0.00 175.55 172.04 2vae s PRO 152 N -2.62 4.52 -0.23 -3.49 0.04 -1.26 -1.36 135.00 130.60 2vae s PRO 152 Ca -0.04 1.17 -0.16 0.00 0.04 0.00 0.00 61.00 62.01 2vae s PRO 152 Cb -0.01 -3.04 0.07 0.00 0.04 0.00 0.00 34.50 31.56 2vae s PRO 152 CO -0.03 0.44 0.58 0.50 0.04 0.00 0.00 177.00 178.53 2vae s ARG 153 N -1.62 0.62 -1.48 4.56 3.52 -0.20 -4.94 118.95 119.41 2vae s ARG 153 Ca 0.42 0.97 -0.13 0.00 -0.13 0.00 0.00 55.73 56.86 2vae s ARG 153 Cb -0.21 0.17 0.10 0.00 -1.56 0.00 0.00 34.95 33.45 2vae s ARG 153 CO 0.25 -0.13 0.72 -0.25 -0.81 0.00 0.00 175.30 175.08 2vae n ASP 154 N 3.74 -3.98 0.00 -2.12 8.00 -1.26 -1.43 116.55 119.49 2vae n ASP 154 Ca -0.19 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2vae n ASP 154 Cb 0.57 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 2vae n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vae n GLY 155 N -1.38 0.73 3.63 0.44 0.00 -1.26 -5.00 105.19 102.35 2vae n GLY 155 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.95 0.89 -0.12 1.61 -7.23 -0.52 -4.88 120.40 107.20 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 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.56 2vae s LEU 157 N -3.73 3.44 0.12 1.32 2.96 -0.93 -1.04 118.68 120.82 2vae s LEU 157 Ca 0.16 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 54.15 2vae s LEU 157 Cb 0.02 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2vae s LEU 157 CO 0.09 0.27 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.69 2vae s LYS 158 N -0.22 1.04 -0.01 1.98 1.02 -0.47 -0.36 119.74 122.73 2vae s LYS 158 Ca 0.05 -1.20 -0.21 0.00 0.02 0.00 0.00 55.97 54.63 2vae s LYS 158 Cb -0.13 -1.04 0.04 0.00 -0.52 0.00 0.00 37.83 36.19 2vae s LYS 158 CO 0.02 0.22 0.46 0.20 -0.92 0.00 0.00 175.35 175.32 2vae s GLY 159 N -2.26 -0.32 0.08 -3.33 0.00 -0.55 -1.39 107.32 99.54 2vae s GLY 159 Ca 0.07 0.64 0.04 0.00 0.00 0.00 0.00 44.72 45.47 2vae s GLY 159 CO 0.04 0.37 -0.10 -0.54 0.00 0.00 0.00 173.10 172.86 2vae s GLU 160 N -1.59 0.76 -0.04 2.90 8.01 -0.35 -0.23 118.70 128.15 2vae s GLU 160 Ca -0.11 -1.03 -0.04 0.00 0.01 0.00 0.00 54.97 53.81 2vae s GLU 160 Cb -0.02 -0.53 0.01 0.00 -4.31 0.00 0.00 34.13 29.28 2vae s GLU 160 CO 0.04 0.09 0.11 0.42 0.01 0.00 0.00 175.26 175.94 2vae s ILE 161 N -1.98 -0.01 -0.51 -1.63 1.01 -0.34 -1.00 121.20 116.74 2vae s ILE 161 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 2vae s ILE 161 Cb -0.06 -0.17 0.07 0.00 0.01 0.00 0.00 42.46 42.31 2vae s ILE 161 CO 0.00 0.01 0.58 -1.00 0.00 0.00 0.00 174.94 174.54 2vae s HIS 162 N 0.19 3.09 0.41 3.97 3.76 -1.26 -0.64 115.29 124.80 2vae s HIS 162 Ca -0.01 -0.71 0.08 0.00 -0.15 0.00 0.00 55.06 54.27 2vae s HIS 162 Cb -0.02 -3.54 -0.02 0.00 1.11 0.00 0.00 32.58 30.12 2vae s HIS 162 CO -0.01 -1.02 0.41 0.15 -0.85 0.00 0.00 174.74 173.42 2vae s LYS 163 N 2.39 2.62 -0.23 1.40 1.02 0.02 -4.78 119.74 122.19 2vae s LYS 163 Ca 0.12 -1.44 -0.14 0.00 0.02 0.00 0.00 55.97 54.53 2vae s LYS 163 Cb -0.21 -2.47 0.07 0.00 -0.52 0.00 0.00 37.83 34.69 2vae s LYS 163 CO 0.10 -0.17 0.56 0.00 -0.92 0.00 0.00 175.35 174.92 2vae s ALA 164 N -2.42 -1.48 -0.10 5.17 0.00 -1.26 -1.76 121.76 119.91 2vae s ALA 164 Ca 0.49 1.94 -0.14 0.00 0.00 0.00 0.00 51.96 54.25 2vae s ALA 164 Cb -0.05 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 2vae s ALA 164 CO 0.29 -0.32 0.36 -0.51 0.00 0.00 0.00 175.76 175.58 2vae s LEU 165 N 1.34 4.34 0.31 0.00 1.43 0.15 -1.07 118.68 125.17 2vae s LEU 165 Ca -0.08 0.72 -0.28 0.00 -1.03 0.00 0.00 54.13 53.45 2vae s LEU 165 Cb -0.06 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 2vae s LEU 165 CO -0.14 0.18 1.14 -0.54 0.23 0.00 0.00 176.35 177.22 2vae s LYS 166 N -0.13 4.48 -0.03 1.70 1.02 -0.13 -0.43 119.74 126.22 2vae s LYS 166 Ca 0.21 1.85 -0.05 0.00 0.02 0.00 0.00 55.97 57.99 2vae s LYS 166 Cb -0.15 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 2vae s LYS 166 CO 0.08 0.05 0.21 -0.51 -0.92 0.00 0.00 175.35 174.26 2vae s LEU 167 N -1.74 4.38 0.25 3.17 1.43 -0.54 0.00 118.68 125.63 2vae s LEU 167 Ca 0.48 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 54.00 2vae s LEU 167 Cb -0.32 -2.51 0.46 0.00 0.03 0.00 0.00 46.19 43.85 2vae s LEU 167 CO 0.41 0.29 1.74 0.11 0.23 0.00 0.00 176.35 179.14 2vae h LYS 168 N 4.17 0.47 -0.49 1.70 1.57 -1.12 -1.72 116.57 121.15 2vae h LYS 168 Ca -0.51 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2vae h LYS 168 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2vae h LYS 168 CO 0.65 0.31 0.00 -0.25 -0.57 0.00 0.00 179.45 179.59 2vae n ASP 169 N -4.97 2.56 0.00 0.86 9.92 -1.26 -5.01 116.55 118.66 2vae n ASP 169 Ca 0.14 -2.07 0.00 0.00 -0.53 0.00 0.00 54.79 52.33 2vae n ASP 169 Cb 0.40 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 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 1.09 2.33 6.66 0.44 0.00 -0.65 -5.12 105.19 109.95 2vae n GLY 170 Ca 0.15 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 1.72 -2.00 3.10 -0.02 0.00 -1.26 -4.53 105.19 102.21 2vae n GLY 171 Ca 0.00 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 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 0.89 -0.23 1.61 3.76 -1.26 -1.47 115.29 118.59 2vae s HIS 172 Ca 0.00 -0.46 -0.02 0.00 -0.15 0.00 0.00 55.06 54.43 2vae s HIS 172 Cb 0.00 -0.52 0.02 0.00 1.11 0.00 0.00 32.58 33.19 2vae s HIS 172 CO 0.00 -0.02 -0.08 -0.47 -0.85 0.00 0.00 174.74 173.32 2vae s TYR 173 N -1.26 3.01 0.09 1.40 5.04 0.43 -4.92 117.35 121.14 2vae s TYR 173 Ca -0.06 -1.46 -0.16 0.00 -2.44 0.00 0.00 57.07 52.94 2vae s TYR 173 Cb -0.10 -2.05 -0.07 0.00 0.35 0.00 0.00 41.96 40.10 2vae s TYR 173 CO 0.01 -0.71 0.53 -0.51 -1.34 0.00 0.00 175.55 173.54 2vae s LEU 174 N 1.35 4.44 -0.06 6.97 1.43 -1.26 -0.68 118.68 130.86 2vae s LEU 174 Ca 0.02 1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 54.23 2vae s LEU 174 Cb -0.16 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 43.10 2vae s LEU 174 CO -0.05 0.21 0.13 -0.69 0.23 0.00 0.00 176.35 176.18 2vae s VAL 175 N -1.25 -0.08 -0.14 -1.59 1.01 -0.72 -1.30 120.40 116.32 2vae s VAL 175 Ca 0.32 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.38 2vae s VAL 175 Cb -0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 2vae s VAL 175 CO 0.18 0.09 0.30 -0.70 0.00 0.00 0.00 175.10 174.97 2vae s GLU 176 N 1.35 4.17 -0.11 2.72 2.12 -0.04 -0.80 118.70 128.10 2vae s GLU 176 Ca -0.07 0.13 -0.03 0.00 0.36 0.00 0.00 54.97 55.36 2vae s GLU 176 Cb -0.12 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 2vae s GLU 176 CO -0.06 0.31 0.02 -0.06 -0.54 0.00 0.00 175.26 174.94 2vae s PHE 177 N 0.22 3.20 -0.13 5.30 0.40 0.19 -0.97 117.98 126.19 2vae s PHE 177 Ca 0.18 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 2vae s PHE 177 Cb -0.13 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.55 2vae s PHE 177 CO 0.05 0.38 -0.13 0.15 0.70 0.00 0.00 175.22 176.37 2vae s LYS 178 N -0.54 2.06 0.19 0.44 1.02 -0.11 -1.19 119.74 121.60 2vae s LYS 178 Ca 0.10 -0.47 0.10 0.00 0.02 0.00 0.00 55.97 55.71 2vae s LYS 178 Cb -0.12 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 2vae s LYS 178 CO 0.02 -0.20 -0.20 -1.12 -0.92 0.00 0.00 175.35 172.93 2vae s SER 179 N 1.41 3.06 -0.05 2.83 0.01 0.68 -0.75 113.70 120.89 2vae s SER 179 Ca 0.02 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2vae s SER 179 Cb -0.13 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.91 2vae s SER 179 CO -0.08 0.02 -0.02 -0.63 0.41 0.00 0.00 173.24 172.94 2vae s ILE 180 N -2.02 0.42 -0.18 1.44 1.09 -0.00 -1.49 121.20 120.46 2vae s ILE 180 Ca 0.20 -0.02 -0.01 0.00 -1.10 0.00 0.00 60.65 59.72 2vae s ILE 180 Cb -0.06 -0.49 0.00 0.00 -1.06 0.00 0.00 42.46 40.85 2vae s ILE 180 CO 0.09 0.22 -0.13 -0.31 -0.10 0.00 0.00 174.94 174.71 2vae s TYR 181 N 1.18 2.84 -0.30 3.97 2.02 0.52 -0.90 117.35 126.67 2vae s TYR 181 Ca -0.07 -1.12 0.01 0.00 -0.37 0.00 0.00 57.07 55.52 2vae s TYR 181 Cb -0.14 -1.96 0.09 0.00 -0.40 0.00 0.00 41.96 39.55 2vae s TYR 181 CO -0.02 -0.56 0.04 -1.64 -1.57 0.00 0.00 175.55 171.81 2vae s MET 182 N 1.11 1.20 0.50 -0.62 -1.94 0.99 -2.18 119.30 118.36 2vae s MET 182 Ca 0.00 -1.33 -0.23 0.00 -1.71 0.00 0.00 55.69 52.42 2vae s MET 182 Cb -0.14 -2.57 -0.07 0.00 2.01 0.00 0.00 34.83 34.06 2vae s MET 182 CO -0.04 -0.87 1.36 0.00 -0.01 0.00 0.00 175.02 175.46 2vae n ALA 183 N 4.60 1.67 0.15 3.03 0.00 -1.26 -0.68 120.51 128.01 2vae n ALA 183 Ca -0.02 0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.62 2vae n ALA 183 Cb 0.43 -2.35 0.35 0.00 0.00 0.00 0.00 19.45 17.88 2vae n ALA 183 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2vae h LYS 184 N 1.81 0.11 -4.68 0.00 1.57 -1.55 -3.39 116.57 110.45 2vae h LYS 184 Ca -0.50 -0.04 -0.51 0.00 -1.87 0.00 0.00 60.65 57.73 2vae h LYS 184 Cb 1.29 -0.01 -0.33 0.00 0.08 0.00 0.00 32.23 33.27 2vae h LYS 184 CO 0.59 0.40 -0.81 0.21 -0.57 0.00 0.00 179.45 179.27 2vae s LYS 185 N -4.36 1.58 -0.03 3.15 2.20 -1.26 -5.11 119.74 115.92 2vae s LYS 185 Ca -0.04 -0.42 -0.35 0.00 -0.36 0.00 0.00 55.97 54.79 2vae s LYS 185 Cb 0.15 -1.34 -0.14 0.00 -1.51 0.00 0.00 37.83 34.99 2vae s LYS 185 CO 0.73 0.08 1.70 -2.30 -0.36 0.00 0.00 175.35 175.20 2vae n PRO 186 N 3.62 1.87 -4.69 4.03 -0.02 -1.26 -4.93 135.00 133.63 2vae n PRO 186 Ca -0.21 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 2vae n PRO 186 Cb 0.52 -2.45 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 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 2.62 1.51 0.36 -1.45 -7.23 -1.26 -5.10 120.40 109.83 2vae s VAL 187 Ca 0.89 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 58.78 2vae s VAL 187 Cb -0.78 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 33.55 2vae s VAL 187 CO 0.49 0.00 1.46 -1.10 -0.31 0.00 0.00 175.10 175.65 2vae s GLN 188 N -3.82 4.16 0.05 4.82 -0.21 -1.26 -5.01 119.66 118.40 2vae s GLN 188 Ca 0.18 2.50 0.02 0.00 0.02 0.00 0.00 55.36 58.08 2vae s GLN 188 Cb 0.05 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.02 2vae s GLN 188 CO 0.09 -0.48 0.07 -0.51 -2.12 0.00 0.00 175.29 172.35 2vae s LEU 189 N -1.81 3.79 0.95 2.90 1.43 -1.26 -4.14 118.68 120.54 2vae s LEU 189 Ca 0.53 0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.50 2vae s LEU 189 Cb -0.45 -2.39 0.20 0.00 0.03 0.00 0.00 46.19 43.58 2vae s LEU 189 CO 0.59 0.20 1.31 -2.16 0.23 0.00 0.00 176.35 176.52 2vae s PRO 190 N -2.17 0.66 0.00 1.29 0.04 -1.26 -4.75 135.00 128.81 2vae s PRO 190 Ca 0.27 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.85 2vae s PRO 190 Cb -0.12 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2vae s PRO 190 CO 0.19 -2.39 0.00 0.41 0.04 0.00 0.00 177.00 175.26 2vae n GLY 191 N -3.73 1.59 3.68 0.56 0.00 -1.26 -4.25 105.19 101.77 2vae n GLY 191 Ca 0.15 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 2.13 2.19 0.28 1.61 5.04 -1.26 -4.42 117.35 122.91 2vae s TYR 192 Ca 0.00 0.24 -0.08 0.00 -2.44 0.00 0.00 57.07 54.78 2vae s TYR 192 Cb 0.00 -3.95 0.03 0.00 0.35 0.00 0.00 41.96 38.39 2vae s TYR 192 CO 0.00 -3.92 0.52 2.48 -1.34 0.00 0.00 175.55 173.28 2vae n TYR 193 N 6.30 -1.79 -4.25 4.97 4.11 -0.47 -4.82 117.16 121.21 2vae n TYR 193 Ca 0.17 -1.44 -0.21 0.00 -0.00 0.00 0.00 57.90 56.42 2vae n TYR 193 Cb 0.42 0.60 -0.12 0.00 -0.00 0.00 0.00 39.34 40.23 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 -3.94 1.41 -0.14 -3.48 1.51 -0.40 -0.60 117.35 111.71 2vae s TYR 194 Ca 0.14 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 2vae s TYR 194 Cb -0.03 -0.79 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 2vae s TYR 194 CO 0.10 0.10 -0.15 0.08 -1.11 0.00 0.00 175.55 174.57 2vae s VAL 195 N -1.16 1.59 -0.02 0.71 1.01 -0.50 -0.52 120.40 121.50 2vae s VAL 195 Ca 0.01 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 2vae s VAL 195 Cb -0.10 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2vae s VAL 195 CO 0.03 0.46 0.58 -1.81 0.00 0.00 0.00 175.10 174.36 2vae s ASP 196 N 1.41 6.94 0.07 3.32 1.01 -0.39 -0.51 116.67 128.51 2vae s ASP 196 Ca 0.03 1.12 0.03 0.00 0.71 0.00 0.00 52.55 54.43 2vae s ASP 196 Cb -0.13 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 2vae s ASP 196 CO -0.10 0.09 -0.08 -0.44 0.21 0.00 0.00 175.17 174.85 2vae s SER 197 N -0.10 1.12 -0.16 0.27 0.01 -0.21 -1.42 113.70 113.22 2vae s SER 197 Ca 0.30 -0.74 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 2vae s SER 197 Cb -0.18 0.04 0.08 0.00 0.21 0.00 0.00 66.02 66.17 2vae s SER 197 CO 0.16 -0.28 0.22 -0.75 0.41 0.00 0.00 173.24 173.00 2vae s LYS 198 N -2.50 0.15 -0.18 12.44 2.20 -0.10 -0.80 119.74 130.94 2vae s LYS 198 Ca 0.00 0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 56.01 2vae s LYS 198 Cb -0.04 -0.66 -0.02 0.00 -1.51 0.00 0.00 37.83 35.59 2vae s LYS 198 CO -0.01 -0.48 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.31 2vae s LEU 199 N 2.35 3.23 -0.03 5.43 2.96 -1.26 -1.62 118.68 129.74 2vae s LEU 199 Ca 0.05 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 2vae s LEU 199 Cb -0.14 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2vae s LEU 199 CO -0.10 0.11 -0.20 -1.81 -1.32 0.00 0.00 176.35 173.03 2vae s ASP 200 N 0.72 2.40 -0.24 3.68 1.01 0.53 -4.55 116.67 120.22 2vae s ASP 200 Ca -0.01 -0.38 -0.25 0.00 0.71 0.00 0.00 52.55 52.62 2vae s ASP 200 Cb -0.14 -0.44 -0.00 0.00 1.01 0.00 0.00 42.92 43.35 2vae s ASP 200 CO 0.02 0.22 0.86 -0.63 0.21 0.00 0.00 175.17 175.85 2vae s ILE 201 N -0.28 4.82 -0.09 0.77 -1.09 -1.26 -0.66 121.20 123.40 2vae s ILE 201 Ca 0.03 1.63 0.18 0.00 -2.23 0.00 0.00 60.65 60.26 2vae s ILE 201 Cb -0.10 -4.14 -0.27 0.00 -1.58 0.00 0.00 42.46 36.37 2vae s ILE 201 CO 0.01 -0.08 0.27 0.35 -1.23 0.00 0.00 174.94 174.25 2vae n THR 202 N 5.24 0.52 -3.54 2.92 -2.24 -0.07 -4.98 114.28 112.13 2vae n THR 202 Ca 0.06 -0.58 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 2vae n THR 202 Cb 0.47 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 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 -4.64 -0.43 -0.08 3.42 1.04 -1.21 -4.99 113.70 106.81 2vae s SER 203 Ca -0.08 -0.12 -0.30 0.00 0.48 0.00 0.00 55.95 55.93 2vae s SER 203 Cb 0.09 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.87 2vae s SER 203 CO 0.77 -0.91 0.95 -1.38 0.98 0.00 0.00 173.24 173.66 2vae s HIS 204 N -3.54 -0.35 0.82 5.02 -0.00 -1.26 -1.10 115.29 114.88 2vae s HIS 204 Ca 0.05 0.39 -0.09 0.00 -0.00 0.00 0.00 55.06 55.41 2vae s HIS 204 Cb -0.02 0.50 0.18 0.00 -0.00 0.00 0.00 32.58 33.24 2vae s HIS 204 CO -0.08 -0.44 1.11 0.27 -0.00 0.00 0.00 174.74 175.61 2vae n ASN 205 N 0.18 0.59 -0.36 7.38 6.94 -0.71 -4.96 115.26 124.32 2vae n ASN 205 Ca -0.09 -1.71 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 2vae n ASN 205 Cb 0.60 -0.81 0.14 0.00 -2.36 0.00 0.00 39.78 37.35 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 1.16 -0.28 -3.83 4.57 -2.02 -2.65 114.58 111.53 2vae h GLU 206 Ca -0.36 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2vae h GLU 206 Cb 1.12 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2vae h GLU 206 CO 0.30 0.77 0.00 -0.40 -1.18 0.00 0.00 179.01 178.50 2vae n ASP 207 N -4.48 3.78 -3.45 1.04 5.75 -1.26 -4.96 116.55 112.97 2vae n ASP 207 Ca 0.13 -2.87 -0.25 0.00 -0.01 0.00 0.00 54.79 51.79 2vae n ASP 207 Cb 0.11 -0.50 0.03 0.00 -1.03 0.00 0.00 41.12 39.73 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 -0.35 -2.16 0.61 2.11 4.02 -1.00 -4.58 117.16 115.82 2vae n TYR 208 Ca 0.20 0.69 0.12 0.00 -0.01 0.00 0.00 57.90 58.90 2vae n TYR 208 Cb 0.83 -4.05 0.17 0.00 -0.02 0.00 0.00 39.34 36.27 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 -4.50 0.30 -4.01 -0.72 -2.24 -1.26 -4.77 114.28 97.08 2vae n THR 209 Ca -0.03 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 2vae n THR 209 Cb 0.56 -0.07 -0.17 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.56 -0.02 2.28 1.01 -1.26 -0.83 121.20 119.78 2vae s ILE 210 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2vae s ILE 210 Cb 0.14 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.99 2vae s ILE 210 CO 0.72 0.26 0.08 -0.69 0.00 0.00 0.00 174.94 175.31 2vae s VAL 211 N 1.37 0.01 0.09 2.92 1.01 -0.58 -1.74 120.40 123.48 2vae s VAL 211 Ca -0.04 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2vae s VAL 211 Cb -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2vae s VAL 211 CO -0.03 -0.06 -0.25 -1.61 0.00 0.00 0.00 175.10 173.15 2vae s GLU 212 N -0.16 1.65 0.09 2.72 2.02 -0.26 -0.82 118.70 123.93 2vae s GLU 212 Ca -0.02 -1.21 0.02 0.00 0.02 0.00 0.00 54.97 53.77 2vae s GLU 212 Cb -0.02 -1.98 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 2vae s GLU 212 CO 0.00 0.48 -0.07 -0.65 0.02 0.00 0.00 175.26 175.05 2vae s GLN 213 N -1.73 0.79 -0.01 1.61 -0.21 -0.08 -0.89 119.66 119.13 2vae s GLN 213 Ca 0.14 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.28 2vae s GLN 213 Cb -0.10 -0.21 0.00 0.00 1.00 0.00 0.00 33.01 33.70 2vae s GLN 213 CO 0.05 -0.01 -0.02 -0.47 -2.12 0.00 0.00 175.29 172.72 2vae s TYR 214 N -3.30 0.26 -0.02 0.91 5.04 0.17 -1.63 117.35 118.79 2vae s TYR 214 Ca 0.09 -0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.69 2vae s TYR 214 Cb 0.03 -0.21 0.01 0.00 0.35 0.00 0.00 41.96 42.14 2vae s TYR 214 CO -0.04 -0.03 -0.05 -2.00 -1.34 0.00 0.00 175.55 172.09 2vae s GLU 215 N 0.14 0.54 -0.08 4.97 2.12 -0.30 -0.35 118.70 125.74 2vae s GLU 215 Ca -0.01 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.21 2vae s GLU 215 Cb -0.03 -0.55 -0.01 0.00 0.26 0.00 0.00 34.13 33.79 2vae s GLU 215 CO -0.00 0.04 -0.20 0.50 -0.54 0.00 0.00 175.26 175.06 2vae s ARG 216 N 0.27 2.83 -0.11 4.30 3.52 -0.64 -1.72 118.95 127.40 2vae s ARG 216 Ca -0.03 -0.80 -0.09 0.00 -0.13 0.00 0.00 55.73 54.68 2vae s ARG 216 Cb -0.07 -2.34 0.03 0.00 -1.56 0.00 0.00 34.95 31.01 2vae s ARG 216 CO -0.00 0.36 0.28 0.00 -0.81 0.00 0.00 175.30 175.12 2vae s ALA 217 N -0.07 -0.68 -0.05 6.12 0.00 -0.02 -0.93 121.76 126.14 2vae s ALA 217 Ca -0.05 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 2vae s ALA 217 Cb -0.14 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.48 2vae s ALA 217 CO 0.04 -0.15 0.11 -1.21 0.00 0.00 0.00 175.76 174.55 2vae s GLU 218 N 0.46 0.08 0.26 0.00 2.02 -0.50 -1.89 118.70 119.13 2vae s GLU 218 Ca -0.03 0.25 -0.08 0.00 0.02 0.00 0.00 54.97 55.13 2vae s GLU 218 Cb -0.04 -0.09 -0.07 0.00 0.10 0.00 0.00 34.13 34.03 2vae s GLU 218 CO -0.02 -0.10 0.57 0.20 0.02 0.00 0.00 175.26 175.92 2vae s GLY 219 N 0.70 2.13 0.11 -1.39 0.00 0.14 -1.26 107.32 107.75 2vae s GLY 219 Ca -0.05 -0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.07 2vae s GLY 219 CO -0.03 -0.21 0.78 1.09 0.00 0.00 0.00 173.10 174.73 2vae s ARG 220 N -3.12 1.16 0.74 2.90 1.70 0.32 -4.37 118.95 118.28 2vae s ARG 220 Ca 0.47 -0.50 -0.11 0.00 -0.47 0.00 0.00 55.73 55.12 2vae s ARG 220 Cb -0.11 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2vae s ARG 220 CO 0.25 -0.51 1.08 -1.01 -1.08 0.00 0.00 175.30 174.02 2vae s HIS 221 N -3.46 2.92 0.45 5.89 3.76 -1.26 -1.27 115.29 122.32 2vae s HIS 221 Ca 0.05 1.36 -0.23 0.00 -0.15 0.00 0.00 55.06 56.10 2vae s HIS 221 Cb -0.02 -2.98 -0.10 0.00 1.11 0.00 0.00 32.58 30.60 2vae s HIS 221 CO -0.07 -1.51 0.94 1.58 -0.85 0.00 0.00 174.74 174.83 2vae n HIS 222 N -3.30 0.88 0.30 1.40 -0.00 -1.26 -4.82 115.22 108.41 2vae n HIS 222 Ca 0.08 0.54 0.19 0.00 0.46 0.00 0.00 57.72 58.98 2vae n HIS 222 Cb 0.54 -2.18 0.88 0.00 -0.12 0.00 0.00 29.99 29.11 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 1.26 0.00 -1.36 0.27 3.38 -2.04 -2.59 115.31 114.23 2vae h LEU 223 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 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 0.55 0.01 0.00 0.49 0.09 0.00 0.00 178.44 179.58 2vae n PHE 224 N -3.14 0.27 1.40 1.13 0.99 -1.26 -5.32 117.46 111.54 2vae n PHE 224 Ca -0.01 -0.14 0.14 0.00 -0.00 0.00 0.00 57.45 57.44 2vae n PHE 224 Cb 0.22 0.00 0.44 0.00 -1.00 0.00 0.00 39.48 39.14 2vae n PHE 224 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04