#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 5.16 0.80 1.34 1.01 -1.26 -4.96 121.20 123.28 2vae s ILE 8 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 2vae s ILE 8 Cb 0.00 -4.03 0.10 0.00 0.01 0.00 0.00 42.46 38.55 2vae s ILE 8 CO 0.00 -0.43 1.13 -0.54 0.00 0.00 0.00 174.94 175.10 2vae s LYS 9 N 1.92 1.72 0.49 2.79 -0.14 -1.26 -4.98 119.74 120.28 2vae s LYS 9 Ca 0.08 -0.27 0.28 0.00 -1.36 0.00 0.00 55.97 54.70 2vae s LYS 9 Cb -0.19 -2.05 1.22 0.00 -1.68 0.00 0.00 37.83 35.13 2vae s LYS 9 CO 0.11 -1.64 1.95 0.93 -0.76 0.00 0.00 175.35 175.94 2vae h GLU 10 N -0.97 0.00 -5.24 1.68 5.08 -1.97 -3.41 114.58 109.76 2vae h GLU 10 Ca -0.44 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.31 2vae h GLU 10 Cb 1.30 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.22 2vae h GLU 10 CO 0.55 0.14 -0.85 0.12 -1.00 0.00 0.00 179.01 177.97 2vae s PHE 11 N -3.82 2.06 -0.02 4.33 5.36 -1.26 -3.81 117.98 120.81 2vae s PHE 11 Ca -0.01 -0.73 -0.03 0.00 -0.96 0.00 0.00 56.93 55.20 2vae s PHE 11 Cb 0.11 -1.40 0.01 0.00 -0.34 0.00 0.00 43.02 41.40 2vae s PHE 11 CO 0.59 -0.29 0.07 -1.64 -1.46 0.00 0.00 175.22 172.50 2vae s MET 12 N 0.27 0.13 0.39 10.12 -1.94 -0.74 -5.01 119.30 122.53 2vae s MET 12 Ca -0.12 0.02 0.03 0.00 -1.71 0.00 0.00 55.69 53.91 2vae s MET 12 Cb -0.15 0.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.74 2vae s MET 12 CO 0.05 -0.02 0.58 1.03 -0.01 0.00 0.00 175.02 176.65 2vae s ARG 13 N -0.16 3.14 0.04 2.03 0.52 -1.26 -1.49 118.95 121.77 2vae s ARG 13 Ca -0.02 -0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 54.52 2vae s ARG 13 Cb -0.02 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 2vae s ARG 13 CO 0.00 -0.09 0.01 -0.59 0.02 0.00 0.00 175.30 174.65 2vae s PHE 14 N -2.38 0.37 0.02 -0.53 -0.12 -0.35 -1.04 117.98 113.95 2vae s PHE 14 Ca 0.46 -0.79 0.08 0.00 -0.05 0.00 0.00 56.93 56.63 2vae s PHE 14 Cb -0.10 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 2vae s PHE 14 CO 0.35 -0.34 -0.24 0.15 -0.05 0.00 0.00 175.22 175.09 2vae s LYS 15 N -3.05 1.74 0.01 1.99 1.02 -0.07 -0.86 119.74 120.53 2vae s LYS 15 Ca -0.01 -0.97 0.02 0.00 0.02 0.00 0.00 55.97 55.02 2vae s LYS 15 Cb 0.02 -1.82 -0.01 0.00 -0.52 0.00 0.00 37.83 35.49 2vae s LYS 15 CO -0.07 0.48 -0.07 0.54 -0.92 0.00 0.00 175.35 175.32 2vae s VAL 16 N -0.71 0.50 -0.02 3.17 0.11 -0.05 -0.24 120.40 123.15 2vae s VAL 16 Ca 0.10 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 2vae s VAL 16 Cb -0.09 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 2vae s VAL 16 CO 0.01 -0.07 -0.08 -0.60 -3.33 0.00 0.00 175.10 171.03 2vae s ARG 17 N -0.71 0.87 -0.05 1.54 3.52 -0.63 -0.30 118.95 123.19 2vae s ARG 17 Ca -0.02 -0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 2vae s ARG 17 Cb -0.05 -0.82 -0.00 0.00 -1.56 0.00 0.00 34.95 32.51 2vae s ARG 17 CO 0.00 0.10 -0.19 1.41 -0.81 0.00 0.00 175.30 175.82 2vae s MET 18 N 0.19 1.99 -0.18 5.12 -2.45 0.15 -0.74 119.30 123.37 2vae s MET 18 Ca -0.03 -0.67 -0.03 0.00 -1.25 0.00 0.00 55.69 53.71 2vae s MET 18 Cb -0.08 -1.70 -0.01 0.00 1.25 0.00 0.00 34.83 34.29 2vae s MET 18 CO 0.00 0.26 -0.07 -1.21 1.05 0.00 0.00 175.02 175.06 2vae s GLU 19 N 0.03 3.42 0.23 4.11 2.02 -0.43 -1.37 118.70 126.71 2vae s GLU 19 Ca -0.05 -0.63 -0.04 0.00 0.02 0.00 0.00 54.97 54.28 2vae s GLU 19 Cb -0.12 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 2vae s GLU 19 CO 0.03 -0.01 0.25 0.20 0.02 0.00 0.00 175.26 175.75 2vae s GLY 20 N 0.99 1.26 -0.07 -1.39 0.00 -0.46 -1.87 107.32 105.77 2vae s GLY 20 Ca -0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 44.72 43.12 2vae s GLY 20 CO 0.00 -1.17 0.26 -0.45 0.00 0.00 0.00 173.10 171.74 2vae s SER 21 N -3.14 -0.23 -0.06 1.64 0.15 -0.45 -0.93 113.70 110.68 2vae s SER 21 Ca 0.34 0.37 -0.01 0.00 0.70 0.00 0.00 55.95 57.36 2vae s SER 21 Cb 0.04 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.85 2vae s SER 21 CO 0.13 -0.19 0.00 -0.69 1.20 0.00 0.00 173.24 173.70 2vae s VAL 22 N -0.29 0.31 -1.63 4.45 1.01 -0.50 -0.35 120.40 123.40 2vae s VAL 22 Ca -0.04 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 2vae s VAL 22 Cb -0.03 -0.45 0.12 0.00 0.00 0.00 0.00 36.38 36.02 2vae s VAL 22 CO 0.01 0.23 0.70 0.59 0.00 0.00 0.00 175.10 176.63 2vae n ASN 23 N 4.89 -2.63 0.00 3.32 4.13 -0.40 -0.93 115.26 123.63 2vae n ASN 23 Ca -0.11 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.14 2vae n ASN 23 Cb 0.50 -2.83 0.00 0.00 -1.54 0.00 0.00 39.78 35.91 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 -1.57 1.70 3.57 7.41 0.00 -1.26 -5.00 105.19 110.05 2vae n GLY 24 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.00 3.20 0.19 1.61 5.04 -0.11 -5.06 115.29 117.15 2vae s HIS 25 Ca 0.00 0.31 -0.10 0.00 -1.54 0.00 0.00 55.06 53.73 2vae s HIS 25 Cb 0.00 -2.90 -0.07 0.00 0.04 0.00 0.00 32.58 29.65 2vae s HIS 25 CO 0.00 -0.49 0.52 -1.21 -2.34 0.00 0.00 174.74 171.22 2vae s GLU 26 N 2.41 3.82 0.17 2.88 2.02 -1.26 -1.40 118.70 127.33 2vae s GLU 26 Ca 0.20 0.27 -0.18 0.00 0.02 0.00 0.00 54.97 55.28 2vae s GLU 26 Cb -0.15 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.35 2vae s GLU 26 CO 0.12 0.39 0.51 -0.59 0.02 0.00 0.00 175.26 175.71 2vae s PHE 27 N -1.68 -0.21 0.01 1.61 -0.12 -0.11 -4.38 117.98 113.10 2vae s PHE 27 Ca 0.43 -0.11 0.03 0.00 -0.05 0.00 0.00 56.93 57.24 2vae s PHE 27 Cb -0.12 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.64 2vae s PHE 27 CO 0.21 -0.85 -0.10 -1.21 -0.05 0.00 0.00 175.22 173.22 2vae s GLU 28 N -3.84 0.72 -0.02 1.99 2.02 -0.39 -1.36 118.70 117.83 2vae s GLU 28 Ca 0.06 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.56 2vae s GLU 28 Cb -0.00 -0.68 0.01 0.00 0.10 0.00 0.00 34.13 33.56 2vae s GLU 28 CO -0.07 0.17 -0.04 0.42 0.02 0.00 0.00 175.26 175.77 2vae s ILE 29 N -0.57 0.35 0.06 -1.63 1.01 -0.47 -0.84 121.20 119.11 2vae s ILE 29 Ca 0.01 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.61 2vae s ILE 29 Cb -0.06 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 2vae s ILE 29 CO 0.00 0.13 -0.20 -1.61 0.00 0.00 0.00 174.94 173.27 2vae s GLU 30 N 0.33 1.27 0.11 2.79 2.02 -0.26 -0.68 118.70 124.28 2vae s GLU 30 Ca -0.03 -0.99 -0.08 0.00 0.02 0.00 0.00 54.97 53.88 2vae s GLU 30 Cb -0.07 -1.42 0.03 0.00 0.10 0.00 0.00 34.13 32.78 2vae s GLU 30 CO -0.00 0.35 0.42 0.41 0.02 0.00 0.00 175.26 176.46 2vae n GLY 31 N 1.62 1.19 3.36 -1.39 0.00 0.59 -0.81 105.19 109.75 2vae n GLY 31 Ca -0.18 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.03 1.17 0.24 1.61 -1.05 -0.78 -0.87 118.70 116.99 2vae s GLU 32 Ca 0.09 -1.09 -0.07 0.00 -0.15 0.00 0.00 54.97 53.76 2vae s GLU 32 Cb -0.02 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 34.10 2vae s GLU 32 CO 0.03 -0.44 0.44 0.41 0.95 0.00 0.00 175.26 176.66 2vae n GLY 33 N -0.22 1.72 3.55 -3.83 0.00 -0.04 -0.47 105.19 105.90 2vae n GLY 33 Ca -0.09 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 2vae n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2vae s GLU 34 N -2.21 1.23 0.00 1.61 -1.05 -0.49 -1.22 118.70 116.58 2vae s GLU 34 Ca 0.13 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 2vae s GLU 34 Cb -0.02 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2vae s GLU 34 CO 0.09 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.17 2vae n GLY 35 N -0.37 -1.18 2.94 -3.83 0.00 -0.56 -0.44 105.19 101.76 2vae n GLY 35 Ca -0.11 -0.87 -0.31 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 1.42 0.51 1.61 1.81 -0.08 -1.78 118.95 122.01 2vae s ARG 36 Ca 0.00 -1.88 0.20 0.00 -1.72 0.00 0.00 55.73 52.33 2vae s ARG 36 Cb 0.00 -2.95 1.32 0.00 -0.45 0.00 0.00 34.95 32.87 2vae s ARG 36 CO 0.00 -0.99 2.10 -1.35 -0.68 0.00 0.00 175.30 174.38 2vae h PRO 37 N 7.43 0.00 -0.00 3.54 0.11 -1.79 -1.46 132.00 139.83 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 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2vae h PRO 37 CO 0.54 0.09 -0.38 0.66 -0.21 0.00 0.00 178.00 178.70 2vae n TYR 38 N -4.15 0.00 0.56 0.65 4.02 -1.26 -3.86 117.16 113.12 2vae n TYR 38 Ca -0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.96 2vae n TYR 38 Cb 0.17 -0.29 -0.12 0.00 -0.02 0.00 0.00 39.34 39.08 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 -1.45 0.74 -1.58 -0.72 1.02 -0.66 -4.67 120.64 113.32 2vae n GLU 39 Ca 0.06 -0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 2vae n GLU 39 Cb 0.33 -1.41 -0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 3.21 0.62 0.00 -0.64 -4.68 105.19 105.52 2vae n GLY 40 Ca 0.01 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.05 1.51 0.12 2.61 -4.23 -1.19 -0.78 115.64 111.63 2vae s THR 41 Ca 0.00 -1.04 -0.25 0.00 -1.18 0.00 0.00 61.69 59.23 2vae s THR 41 Cb 0.00 -1.30 0.07 0.00 1.34 0.00 0.00 72.50 72.61 2vae s THR 41 CO 0.00 0.24 0.62 0.00 -0.54 0.00 0.00 174.62 174.94 2vae s GLN 42 N -0.94 1.23 0.25 3.99 -2.07 -0.59 -0.91 119.66 120.62 2vae s GLN 42 Ca 0.06 -0.34 0.09 0.00 -1.82 0.00 0.00 55.36 53.36 2vae s GLN 42 Cb -0.08 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.36 2vae s GLN 42 CO 0.01 -0.51 -0.15 0.95 -1.32 0.00 0.00 175.29 174.26 2vae s THR 43 N -3.28 2.04 0.01 3.63 -4.23 0.42 -1.00 115.64 113.23 2vae s THR 43 Ca -0.01 -2.28 -0.06 0.00 -1.18 0.00 0.00 61.69 58.16 2vae s THR 43 Cb -0.01 -2.22 -0.00 0.00 1.34 0.00 0.00 72.50 71.61 2vae s THR 43 CO -0.09 -0.47 0.11 0.00 -0.54 0.00 0.00 174.62 173.63 2vae s ALA 44 N -2.78 -0.24 -0.11 3.99 0.00 -0.63 -1.39 121.76 120.60 2vae s ALA 44 Ca 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 2vae s ALA 44 Cb -0.02 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2vae s ALA 44 CO 0.11 -0.21 -0.08 0.21 0.00 0.00 0.00 175.76 175.79 2vae s LYS 45 N -1.47 1.55 0.09 0.00 2.20 0.38 -0.68 119.74 121.81 2vae s LYS 45 Ca -0.14 -0.27 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 2vae s LYS 45 Cb -0.08 -1.59 -0.04 0.00 -1.51 0.00 0.00 37.83 34.61 2vae s LYS 45 CO 0.01 -0.26 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.06 2vae s LEU 46 N 1.66 2.70 -0.05 5.43 2.01 0.41 -1.87 118.68 128.98 2vae s LEU 46 Ca 0.04 -0.50 0.01 0.00 0.01 0.00 0.00 54.13 53.69 2vae s LEU 46 Cb -0.13 -1.56 0.02 0.00 0.01 0.00 0.00 46.19 44.54 2vae s LEU 46 CO -0.08 0.21 -0.05 -0.54 1.01 0.00 0.00 176.35 176.90 2vae s LYS 47 N -1.90 0.89 -0.29 1.70 1.02 0.01 -1.45 119.74 119.71 2vae s LYS 47 Ca 0.17 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.74 2vae s LYS 47 Cb -0.11 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 2vae s LYS 47 CO 0.09 -0.07 1.30 0.08 -0.92 0.00 0.00 175.35 175.83 2vae s VAL 48 N 0.89 4.14 -0.14 3.17 1.01 0.04 -1.10 120.40 128.41 2vae s VAL 48 Ca -0.11 1.29 0.22 0.00 0.00 0.00 0.00 61.98 63.37 2vae s VAL 48 Cb -0.14 -4.14 -0.32 0.00 0.00 0.00 0.00 36.38 31.77 2vae s VAL 48 CO 0.00 -0.46 0.52 0.35 0.00 0.00 0.00 175.10 175.52 2vae n THR 49 N 6.18 0.00 -3.76 3.92 -2.24 -0.02 -4.84 114.28 113.53 2vae n THR 49 Ca 0.15 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2vae n THR 49 Cb 0.46 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.44 0.46 0.00 -0.78 2.20 -1.04 -4.92 119.74 112.22 2vae s LYS 50 Ca -0.06 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2vae s LYS 50 Cb 0.14 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 2vae s LYS 50 CO 0.90 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 176.22 2vae n GLY 51 N 2.52 0.46 3.93 5.54 0.00 -1.26 -1.27 105.19 115.11 2vae n GLY 51 Ca -0.15 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.51 1.48 0.50 -0.02 0.00 -1.26 -4.13 107.32 101.39 2vae s GLY 52 Ca 0.00 -0.85 -0.21 0.00 0.00 0.00 0.00 44.72 43.66 2vae s GLY 52 CO 0.00 -0.78 1.10 2.56 0.00 0.00 0.00 173.10 175.98 2vae s PRO 53 N -4.05 3.64 0.28 2.90 0.04 -1.26 -5.11 135.00 131.44 2vae s PRO 53 Ca 0.40 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2vae s PRO 53 Cb -0.10 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 2vae s PRO 53 CO 0.34 -0.61 1.08 -0.51 0.04 0.00 0.00 177.00 177.34 2vae s LEU 54 N -3.46 4.56 -0.19 -3.56 1.43 -1.26 -4.94 118.68 111.26 2vae s LEU 54 Ca 0.68 2.22 0.04 0.00 -1.03 0.00 0.00 54.13 56.04 2vae s LEU 54 Cb -0.22 -3.64 0.37 0.00 0.03 0.00 0.00 46.19 42.73 2vae s LEU 54 CO 0.26 -0.11 1.34 -0.81 0.23 0.00 0.00 176.35 177.26 2vae n PRO 55 N 1.21 2.17 -4.02 1.29 -0.04 -1.26 -4.90 135.00 129.44 2vae n PRO 55 Ca -0.01 -1.56 -0.10 0.00 -0.04 0.00 0.00 63.50 61.80 2vae n PRO 55 Cb 0.45 -1.71 -0.06 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 -1.76 0.47 0.06 0.54 -0.12 -1.26 -4.67 117.98 111.24 2vae s PHE 56 Ca 0.28 -0.81 -0.30 0.00 -0.05 0.00 0.00 56.93 56.05 2vae s PHE 56 Cb 0.23 0.10 -0.09 0.00 -0.63 0.00 0.00 43.02 42.64 2vae s PHE 56 CO 0.07 -0.96 1.83 0.00 -0.05 0.00 0.00 175.22 176.10 2vae s ALA 57 N -3.99 3.66 0.37 1.99 0.00 -0.10 -4.90 121.76 118.80 2vae s ALA 57 Ca 0.24 1.30 0.14 0.00 0.00 0.00 0.00 51.96 53.65 2vae s ALA 57 Cb 0.00 -3.78 0.99 0.00 0.00 0.00 0.00 23.12 20.33 2vae s ALA 57 CO 0.10 -1.35 1.78 2.35 0.00 0.00 0.00 175.76 178.63 2vae h TRP 58 N 9.41 0.78 -0.70 0.00 2.91 -1.96 -2.90 115.95 123.49 2vae h TRP 58 Ca -0.46 0.03 0.19 0.00 1.13 0.00 0.00 58.89 59.78 2vae h TRP 58 Cb 1.22 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 29.61 2vae h TRP 58 CO 0.86 0.11 0.50 -0.44 -1.03 0.00 0.00 178.44 178.44 2vae h ASP 59 N 0.50 0.07 0.74 2.65 3.32 -1.95 0.92 116.42 122.68 2vae h ASP 59 Ca 0.58 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.60 2vae h ASP 59 Cb 1.29 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.82 2vae h ASP 59 CO -0.32 0.03 -0.15 0.16 -1.72 0.00 0.00 179.24 177.24 2vae h ILE 60 N 0.08 0.44 0.00 0.35 3.07 -1.92 -2.97 117.51 116.56 2vae h ILE 60 Ca 0.34 -0.81 -0.20 0.00 1.55 0.00 0.00 64.86 65.74 2vae h ILE 60 Cb 1.24 1.57 -0.03 0.00 -0.27 0.00 0.00 36.82 39.33 2vae h ILE 60 CO -0.03 0.15 -1.27 -0.07 -1.05 0.00 0.00 178.15 175.88 2vae h LEU 61 N 0.00 0.00 -0.77 0.16 3.38 -1.02 -3.41 115.31 113.64 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 0.56 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2vae h LEU 61 CO 0.02 0.74 0.42 0.77 0.09 0.00 0.00 178.44 180.48 2vae h SER 62 N 0.00 0.57 0.00 -0.43 4.64 -1.33 -0.44 113.55 116.57 2vae h SER 62 Ca -0.14 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2vae h SER 62 Cb 1.69 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 2vae h SER 62 CO 0.07 0.32 0.00 -2.65 -0.87 0.00 0.00 176.83 173.70 2vae n PRO 63 N -4.80 0.91 0.02 4.77 -0.02 -1.26 -2.84 135.00 131.77 2vae n PRO 63 Ca 0.13 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.72 2vae n PRO 63 Cb 0.29 -1.17 -0.11 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.67 0.54 -1.49 -0.52 1.13 -0.17 -4.82 117.38 111.38 2vae n GLN 64 Ca 0.07 -0.10 -0.33 0.00 -1.94 0.00 0.00 57.00 54.70 2vae n GLN 64 Cb 0.03 -1.58 -0.05 0.00 0.11 0.00 0.00 30.24 28.75 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 -2.22 1.96 0.00 1.08 3.72 -1.13 -5.01 117.46 115.86 2vae n PHE 65 Ca -0.02 -2.60 0.00 0.00 -0.05 0.00 0.00 57.45 54.78 2vae n PHE 65 Cb 0.53 -2.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.06 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 2.50 0.00 -0.07 4.37 2.88 -1.26 -5.07 113.62 116.97 2vae n SER 69 Ca 0.64 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.28 2vae n SER 69 Cb 0.39 0.00 0.54 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 1.10 0.26 -1.46 4.76 -1.26 -2.15 118.16 119.40 2vae n LYS 70 Ca 0.00 -0.14 0.17 0.00 -2.87 0.00 0.00 58.31 55.47 2vae n LYS 70 Cb 0.00 -1.31 0.79 0.00 -1.84 0.00 0.00 35.03 32.67 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 0.29 0.00 -1.12 -0.18 3.04 -1.97 -3.11 116.25 113.21 2vae h VAL 71 Ca 0.00 -0.27 -0.62 0.00 -1.01 0.00 0.00 66.70 64.80 2vae h VAL 71 Cb 0.06 1.17 -0.25 0.00 -2.01 0.00 0.00 31.29 30.26 2vae h VAL 71 CO 0.00 0.00 0.80 -1.22 -1.01 0.00 0.00 177.57 176.14 2vae n TYR 72 N -2.85 2.75 -3.96 3.17 4.01 -0.92 -4.78 117.16 114.59 2vae n TYR 72 Ca -0.00 -2.62 -0.35 0.00 -0.16 0.00 0.00 57.90 54.77 2vae n TYR 72 Cb 0.20 -1.31 -0.12 0.00 -0.31 0.00 0.00 39.34 37.80 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 -4.22 4.29 0.01 -0.72 1.01 -1.18 -4.08 120.40 115.51 2vae s VAL 73 Ca 0.56 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 2vae s VAL 73 Cb 0.44 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.79 2vae s VAL 73 CO -0.11 0.40 1.54 -0.75 0.00 0.00 0.00 175.10 176.18 2vae s LYS 74 N 1.04 4.23 -0.06 2.72 2.20 -0.85 -4.79 119.74 124.25 2vae s LYS 74 Ca 0.03 2.14 0.06 0.00 -0.36 0.00 0.00 55.97 57.84 2vae s LYS 74 Cb -0.14 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2vae s LYS 74 CO 0.02 -0.69 -0.25 -1.01 -0.36 0.00 0.00 175.35 173.07 2vae s HIS 75 N 2.79 2.44 0.77 4.03 3.76 -1.26 0.57 115.29 128.38 2vae s HIS 75 Ca 0.69 -0.70 -0.11 0.00 -0.15 0.00 0.00 55.06 54.79 2vae s HIS 75 Cb -0.35 -1.59 0.06 0.00 1.11 0.00 0.00 32.58 31.81 2vae s HIS 75 CO 0.29 -0.20 1.10 -1.25 -0.85 0.00 0.00 174.74 173.83 2vae s PRO 76 N -0.19 2.18 0.56 8.40 0.04 -1.26 -4.91 135.00 139.81 2vae s PRO 76 Ca -0.03 1.26 0.25 0.00 0.04 0.00 0.00 61.00 62.53 2vae s PRO 76 Cb -0.14 -1.88 1.54 0.00 0.04 0.00 0.00 34.50 34.06 2vae s PRO 76 CO 0.03 -1.72 2.10 0.00 0.04 0.00 0.00 177.00 177.46 2vae h ALA 77 N -1.03 1.97 -0.02 8.56 0.00 -2.00 -2.21 119.26 124.53 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 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2vae h ALA 77 CO 0.50 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.06 2vae n ASP 78 N -4.08 1.37 -4.22 0.00 5.75 -1.26 -4.69 116.55 109.42 2vae n ASP 78 Ca 0.02 -1.46 -0.35 0.00 -0.01 0.00 0.00 54.79 52.99 2vae n ASP 78 Cb 0.32 -0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.99 3.10 0.14 2.12 1.01 -0.83 -5.03 121.20 119.71 2vae s ILE 79 Ca 0.39 -1.03 -0.35 0.00 0.00 0.00 0.00 60.65 59.66 2vae s ILE 79 Cb 0.21 -2.62 -0.15 0.00 0.01 0.00 0.00 42.46 39.92 2vae s ILE 79 CO 0.34 0.12 1.50 -2.65 0.00 0.00 0.00 174.94 174.24 2vae n PRO 80 N 4.70 1.86 -3.11 2.79 -0.02 -1.26 -4.64 135.00 135.32 2vae n PRO 80 Ca -0.15 0.67 -0.44 0.00 -2.02 0.00 0.00 63.50 61.55 2vae n PRO 80 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 3.10 5.65 -0.24 2.55 -0.08 -1.26 -4.32 116.55 121.95 2vae n ASP 81 Ca 0.17 -3.12 0.04 0.00 -1.51 0.00 0.00 54.79 50.37 2vae n ASP 81 Cb 0.26 -1.40 0.16 0.00 2.34 0.00 0.00 41.12 42.49 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 6.37 0.27 -0.53 -0.67 3.20 -1.90 0.19 116.97 123.91 2vae h TYR 82 Ca 0.23 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 62.04 2vae h TYR 82 Cb 0.79 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2vae h TYR 82 CO 0.92 -0.06 -0.08 0.87 -1.64 0.00 0.00 178.16 178.17 2vae h LYS 83 N 0.28 0.96 -0.46 1.82 1.57 -1.91 -1.89 116.57 116.94 2vae h LYS 83 Ca 0.39 -0.33 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 2vae h LYS 83 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2vae h LYS 83 CO -0.48 1.00 -0.17 0.87 -0.57 0.00 0.00 179.45 180.10 2vae h LYS 84 N 0.86 0.93 -0.03 3.15 1.57 -1.62 -3.04 116.57 118.40 2vae h LYS 84 Ca 0.14 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2vae h LYS 84 Cb 0.62 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 2vae h LYS 84 CO 0.04 1.04 0.03 -0.07 -0.57 0.00 0.00 179.45 179.92 2vae h LEU 85 N 0.77 0.00 -0.83 2.94 3.38 -0.62 -2.48 115.31 118.46 2vae h LEU 85 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2vae h LEU 85 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2vae h LEU 85 CO 0.06 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.36 2vae h SER 86 N 0.00 0.00 -3.94 -0.43 4.64 -1.22 -3.45 113.55 109.15 2vae h SER 86 Ca 0.01 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.85 2vae h SER 86 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2vae h SER 86 CO -0.00 0.00 0.24 -0.36 -0.87 0.00 0.00 176.83 175.84 2vae s PHE 87 N -3.39 3.48 -0.43 4.77 0.40 -0.94 -0.55 117.98 121.32 2vae s PHE 87 Ca 0.04 1.22 0.26 0.00 -0.60 0.00 0.00 56.93 57.86 2vae s PHE 87 Cb 0.09 -2.60 0.89 0.00 0.51 0.00 0.00 43.02 41.92 2vae s PHE 87 CO 0.46 -0.26 1.77 -1.00 0.70 0.00 0.00 175.22 176.89 2vae h PRO 88 N 0.97 0.00 -0.28 0.24 0.13 -1.88 -3.46 132.00 127.73 2vae h PRO 88 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.00 -0.01 1.49 -0.23 0.00 0.00 178.00 179.88 2vae h GLU 89 N 0.00 0.49 0.00 0.86 4.81 -1.92 -3.34 114.58 115.48 2vae h GLU 89 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2vae h GLU 89 Cb 0.62 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2vae h GLU 89 CO 0.00 0.66 0.00 0.41 -0.73 0.00 0.00 179.01 179.35 2vae n GLY 90 N -0.31 -1.03 3.28 1.92 0.00 0.28 -4.51 105.19 104.83 2vae n GLY 90 Ca -0.03 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 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 0.11 0.17 1.61 -0.71 -0.92 -1.40 117.98 116.84 2vae s PHE 91 Ca 0.00 -0.49 0.07 0.00 -1.04 0.00 0.00 56.93 55.46 2vae s PHE 91 Cb 0.00 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 2vae s PHE 91 CO 0.00 -0.64 0.04 0.15 -1.34 0.00 0.00 175.22 173.43 2vae s LYS 92 N -3.87 2.56 0.05 1.99 1.02 -0.02 -0.75 119.74 120.72 2vae s LYS 92 Ca 0.08 -1.03 0.02 0.00 0.02 0.00 0.00 55.97 55.06 2vae s LYS 92 Cb 0.03 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 2vae s LYS 92 CO -0.08 0.47 -0.08 1.67 -0.92 0.00 0.00 175.35 176.40 2vae s TRP 93 N -1.73 0.71 0.12 3.18 1.48 -0.59 0.03 118.94 122.14 2vae s TRP 93 Ca 0.28 -0.54 0.03 0.00 -1.06 0.00 0.00 56.10 54.82 2vae s TRP 93 Cb -0.10 -0.42 -0.04 0.00 -1.16 0.00 0.00 33.47 31.75 2vae s TRP 93 CO 0.20 -0.08 -0.09 -1.21 -4.06 0.00 0.00 176.95 171.71 2vae s GLU 94 N -1.80 0.94 -0.10 3.25 2.02 0.18 -0.52 118.70 122.66 2vae s GLU 94 Ca -0.08 -1.34 -0.21 0.00 0.02 0.00 0.00 54.97 53.36 2vae s GLU 94 Cb -0.09 -0.47 0.05 0.00 0.10 0.00 0.00 34.13 33.73 2vae s GLU 94 CO -0.00 0.05 0.51 0.50 0.02 0.00 0.00 175.26 176.34 2vae s ARG 95 N -3.55 0.77 -0.11 1.61 3.52 -0.60 -0.70 118.95 119.89 2vae s ARG 95 Ca 0.12 0.31 -0.00 0.00 -0.13 0.00 0.00 55.73 56.03 2vae s ARG 95 Cb 0.02 0.36 -0.02 0.00 -1.56 0.00 0.00 34.95 33.75 2vae s ARG 95 CO -0.01 -0.19 -0.11 0.08 -0.81 0.00 0.00 175.30 174.26 2vae s VAL 96 N -0.67 3.30 -0.19 7.11 1.01 -0.13 -1.40 120.40 129.43 2vae s VAL 96 Ca -0.08 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2vae s VAL 96 Cb -0.03 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 2vae s VAL 96 CO 0.05 0.54 -0.09 -0.04 0.00 0.00 0.00 175.10 175.55 2vae s MET 97 N 0.04 3.30 -0.36 2.72 -1.94 -0.22 -1.11 119.30 121.73 2vae s MET 97 Ca -0.03 -0.68 -0.09 0.00 -1.71 0.00 0.00 55.69 53.18 2vae s MET 97 Cb -0.14 -2.84 0.03 0.00 2.01 0.00 0.00 34.83 33.89 2vae s MET 97 CO 0.04 -0.11 0.16 -0.80 -0.01 0.00 0.00 175.02 174.31 2vae s ASN 98 N 1.18 5.56 0.20 3.03 0.01 -0.02 -1.44 114.94 123.47 2vae s ASN 98 Ca 0.02 -1.02 -0.13 0.00 -0.71 0.00 0.00 52.86 51.03 2vae s ASN 98 Cb -0.14 -1.96 -0.07 0.00 0.41 0.00 0.00 41.25 39.48 2vae s ASN 98 CO -0.03 -0.35 0.58 -0.36 -1.51 0.00 0.00 177.10 175.42 2vae s PHE 99 N 1.50 3.51 0.36 2.20 0.40 -0.21 -1.04 117.98 124.70 2vae s PHE 99 Ca 0.01 1.02 0.34 0.00 -0.60 0.00 0.00 56.93 57.69 2vae s PHE 99 Cb -0.19 -2.35 1.64 0.00 0.51 0.00 0.00 43.02 42.62 2vae s PHE 99 CO 0.05 0.33 2.10 1.05 0.70 0.00 0.00 175.22 179.45 2vae h GLU 100 N 3.01 0.00 -0.63 0.44 4.11 -1.49 -1.11 114.58 118.91 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 0.00 179.01 179.41 2vae n ASP 101 N -3.30 3.66 0.00 3.06 5.75 -1.26 -4.94 116.55 119.51 2vae n ASP 101 Ca -0.01 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 2vae n ASP 101 Cb 0.23 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 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 1.27 0.47 3.74 6.12 0.00 -0.42 -4.61 105.19 111.76 2vae n GLY 102 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.38 0.87 2.83 -0.02 0.00 -1.19 -4.72 105.19 101.58 2vae n GLY 103 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.20 0.05 -0.01 1.61 1.01 -0.52 -1.05 120.40 120.29 2vae s VAL 104 Ca 0.62 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.73 2vae s VAL 104 Cb -0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2vae s VAL 104 CO 0.57 0.07 -0.19 -0.69 0.00 0.00 0.00 175.10 174.86 2vae s VAL 105 N 0.57 1.48 0.12 2.92 1.01 -0.52 -0.98 120.40 125.00 2vae s VAL 105 Ca -0.05 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.20 2vae s VAL 105 Cb -0.08 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2vae s VAL 105 CO -0.01 0.40 -0.22 0.42 0.00 0.00 0.00 175.10 175.68 2vae s THR 106 N -0.47 2.59 0.01 3.92 -4.23 -0.67 -1.05 115.64 115.73 2vae s THR 106 Ca 0.07 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 2vae s THR 106 Cb -0.07 -2.16 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 2vae s THR 106 CO -0.01 0.11 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.47 2vae s VAL 107 N -1.09 0.19 -0.02 2.29 1.01 -0.49 -1.41 120.40 120.88 2vae s VAL 107 Ca 0.16 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2vae s VAL 107 Cb -0.10 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.08 2vae s VAL 107 CO 0.08 -0.07 -0.04 0.28 0.00 0.00 0.00 175.10 175.34 2vae s THR 108 N -0.37 0.41 -0.00 3.92 -1.32 -0.47 -1.56 115.64 116.25 2vae s THR 108 Ca -0.03 -0.15 -0.01 0.00 -1.21 0.00 0.00 61.69 60.29 2vae s THR 108 Cb -0.03 -0.40 -0.00 0.00 -1.51 0.00 0.00 72.50 70.56 2vae s THR 108 CO -0.00 0.15 0.02 -1.58 -2.21 0.00 0.00 174.62 171.00 2vae s GLN 109 N 0.31 0.08 -0.10 7.08 -0.44 0.32 -0.98 119.66 125.93 2vae s GLN 109 Ca -0.03 -0.08 0.04 0.00 -2.50 0.00 0.00 55.36 52.78 2vae s GLN 109 Cb -0.07 0.03 -0.00 0.00 -1.64 0.00 0.00 33.01 31.33 2vae s GLN 109 CO -0.00 -0.01 -0.23 0.34 0.50 0.00 0.00 175.29 175.88 2vae s ASP 110 N -0.27 3.19 -0.18 6.67 -1.08 0.08 -1.54 116.67 123.55 2vae s ASP 110 Ca -0.03 -0.53 -0.00 0.00 -0.52 0.00 0.00 52.55 51.46 2vae s ASP 110 Cb -0.02 -1.41 0.01 0.00 -1.46 0.00 0.00 42.92 40.03 2vae s ASP 110 CO -0.00 0.16 -0.15 -0.44 0.52 0.00 0.00 175.17 175.26 2vae s SER 111 N 0.32 3.57 0.43 -0.34 0.01 0.07 -1.22 113.70 116.54 2vae s SER 111 Ca -0.18 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.59 2vae s SER 111 Cb -0.18 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.47 2vae s SER 111 CO 0.08 0.02 0.14 -0.44 0.41 0.00 0.00 173.24 173.46 2vae s SER 112 N 1.17 2.92 -0.05 2.44 0.01 -0.22 -2.16 113.70 117.81 2vae s SER 112 Ca 0.01 -1.72 -0.00 0.00 1.31 0.00 0.00 55.95 55.55 2vae s SER 112 Cb -0.14 0.58 0.03 0.00 0.21 0.00 0.00 66.02 66.70 2vae s SER 112 CO -0.06 -0.97 -0.00 -0.22 0.41 0.00 0.00 173.24 172.39 2vae s LEU 113 N -3.64 0.87 -0.16 2.44 2.96 -1.26 -0.46 118.68 119.44 2vae s LEU 113 Ca 0.22 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2vae s LEU 113 Cb 0.02 -0.36 0.04 0.00 0.50 0.00 0.00 46.19 46.39 2vae s LEU 113 CO 0.14 -0.14 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.40 2vae s GLN 114 N 1.49 1.38 -1.41 1.98 0.74 -0.01 -4.85 119.66 118.98 2vae s GLN 114 Ca -0.03 -0.47 -0.11 0.00 0.05 0.00 0.00 55.36 54.81 2vae s GLN 114 Cb -0.13 -1.94 0.01 0.00 1.10 0.00 0.00 33.01 32.06 2vae s GLN 114 CO -0.03 -0.42 0.30 -0.25 -0.55 0.00 0.00 175.29 174.34 2vae n ASP 115 N 4.90 -0.98 0.00 6.67 8.00 -1.26 -1.68 116.55 132.20 2vae n ASP 115 Ca -0.12 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.15 2vae n ASP 115 Cb 0.48 -1.93 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 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 -2.31 0.88 3.27 0.44 0.00 -1.26 -5.03 105.19 101.17 2vae n GLY 116 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 0.44 2.88 -0.18 0.00 0.08 -0.20 -0.83 117.98 120.17 2vae s PHE 118 Ca -0.14 1.50 0.01 0.00 0.12 0.00 0.00 56.93 58.42 2vae s PHE 118 Cb -0.17 -3.50 0.03 0.00 -0.57 0.00 0.00 43.02 38.82 2vae s PHE 118 CO 0.06 -1.70 -0.12 0.42 -0.10 0.00 0.00 175.22 173.78 2vae s ILE 119 N -1.40 1.63 -0.14 0.64 -1.09 0.39 -0.89 121.20 120.35 2vae s ILE 119 Ca 0.60 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 58.15 2vae s ILE 119 Cb -0.33 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.91 2vae s ILE 119 CO 0.41 0.31 -0.07 -0.31 -1.23 0.00 0.00 174.94 174.05 2vae s TYR 120 N 1.43 2.96 -0.10 3.97 2.02 0.66 -1.06 117.35 127.23 2vae s TYR 120 Ca 0.02 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 2vae s TYR 120 Cb -0.15 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2vae s TYR 120 CO -0.09 -0.04 -0.14 0.15 -1.57 0.00 0.00 175.55 173.86 2vae s LYS 121 N 0.21 2.02 -0.04 -0.62 1.02 -0.35 -1.61 119.74 120.37 2vae s LYS 121 Ca -0.04 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.49 2vae s LYS 121 Cb -0.14 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2vae s LYS 121 CO 0.04 -0.06 -0.13 0.08 -0.92 0.00 0.00 175.35 174.35 2vae s VAL 122 N 0.99 1.11 -0.03 3.17 1.01 0.08 -0.74 120.40 125.99 2vae s VAL 122 Ca -0.07 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.44 2vae s VAL 122 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2vae s VAL 122 CO -0.01 0.33 -0.24 -0.54 0.00 0.00 0.00 175.10 174.64 2vae s LYS 123 N 0.13 2.07 -0.05 2.72 1.02 -0.16 -1.32 119.74 124.15 2vae s LYS 123 Ca -0.04 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 2vae s LYS 123 Cb -0.10 -1.92 0.04 0.00 -0.52 0.00 0.00 37.83 35.32 2vae s LYS 123 CO 0.01 0.47 0.10 0.12 -0.92 0.00 0.00 175.35 175.14 2vae s PHE 124 N -0.44 -0.08 -0.15 3.18 2.19 -0.78 -1.37 117.98 120.52 2vae s PHE 124 Ca 0.06 0.38 -0.00 0.00 0.33 0.00 0.00 56.93 57.69 2vae s PHE 124 Cb -0.10 -0.21 0.03 0.00 -1.31 0.00 0.00 43.02 41.43 2vae s PHE 124 CO 0.00 -0.17 -0.07 0.42 1.83 0.00 0.00 175.22 177.24 2vae s ILE 125 N 1.47 1.16 -0.09 3.12 1.01 -0.50 -1.35 121.20 126.02 2vae s ILE 125 Ca -0.05 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.07 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 -0.05 0.23 -0.18 -0.83 0.00 0.00 0.00 174.94 174.11 2vae s GLY 126 N 1.63 1.44 0.10 6.18 0.00 0.53 -1.66 107.32 115.53 2vae s GLY 126 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2vae s GLY 126 CO -0.08 -0.43 -0.02 -1.34 0.00 0.00 0.00 173.10 171.23 2vae s VAL 127 N 0.03 0.41 -1.01 1.40 -7.23 -0.16 -1.28 120.40 112.56 2vae s VAL 127 Ca -0.07 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2vae s VAL 127 Cb -0.15 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.04 2vae s VAL 127 CO 0.05 -0.79 0.00 -3.20 -0.31 0.00 0.00 175.10 170.85 2vae n ASN 128 N -0.02 -3.93 -4.70 4.85 5.15 -1.26 -1.44 115.26 113.91 2vae n ASN 128 Ca -0.11 0.16 -0.42 0.00 -0.60 0.00 0.00 54.58 53.61 2vae n ASN 128 Cb 0.62 -2.65 -0.03 0.00 -0.53 0.00 0.00 39.78 37.19 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 -2.43 3.29 0.33 1.20 0.08 -1.26 -3.15 117.98 116.04 2vae s PHE 129 Ca 0.00 1.27 -0.29 0.00 0.12 0.00 0.00 56.93 58.03 2vae s PHE 129 Cb 0.00 -3.40 -0.12 0.00 -0.57 0.00 0.00 43.02 38.93 2vae s PHE 129 CO 0.00 -1.21 1.41 -2.30 -0.10 0.00 0.00 175.22 173.02 2vae n PRO 130 N 4.79 2.35 0.24 0.24 -0.02 -1.26 -4.86 135.00 136.49 2vae n PRO 130 Ca 0.10 0.83 0.10 0.00 -2.02 0.00 0.00 63.50 62.51 2vae n PRO 130 Cb 0.47 -2.49 0.63 0.00 -0.02 0.00 0.00 33.50 32.08 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 3.29 0.00 -0.68 2.55 4.64 -1.99 -1.72 113.55 119.64 2vae h SER 131 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 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 0.68 0.16 0.00 -0.90 -0.87 0.00 0.00 176.83 175.90 2vae n ASP 132 N -3.83 3.88 -4.51 4.97 5.75 -1.26 -4.48 116.55 117.06 2vae n ASP 132 Ca -0.02 -2.00 -0.27 0.00 -0.01 0.00 0.00 54.79 52.49 2vae n ASP 132 Cb 0.26 -0.45 0.13 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.06 1.74 0.53 6.12 0.00 -0.65 -4.81 107.32 109.18 2vae s GLY 133 Ca 0.47 -1.20 0.30 0.00 0.00 0.00 0.00 44.72 44.29 2vae s GLY 133 CO 0.33 -0.59 2.02 -0.56 0.00 0.00 0.00 173.10 174.30 2vae h PRO 134 N -1.10 0.00 0.18 2.90 0.13 -1.94 -0.84 132.00 131.32 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 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2vae h PRO 134 CO 0.46 0.10 -0.08 0.28 -0.23 0.00 0.00 178.00 178.53 2vae h VAL 135 N 0.00 0.71 0.00 1.56 2.07 -1.93 0.26 116.25 118.92 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 0.45 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2vae h VAL 135 CO 0.01 0.19 0.00 0.24 0.02 0.00 0.00 177.57 178.03 2vae h MET 136 N -0.92 0.00 -0.34 1.57 2.86 -1.75 -0.13 114.93 116.23 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 -2.99 2.32 -3.60 1.72 1.13 -0.34 -4.62 117.38 111.00 2vae n GLN 137 Ca 0.01 -2.13 -0.22 0.00 -1.94 0.00 0.00 57.00 52.73 2vae n GLN 137 Cb 0.34 -1.45 0.05 0.00 0.11 0.00 0.00 30.24 29.29 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 1.27 -3.77 -0.20 -1.09 5.02 -0.78 -4.91 118.16 113.70 2vae n LYS 138 Ca 0.17 0.64 0.09 0.00 -2.02 0.00 0.00 58.31 57.19 2vae n LYS 138 Cb 0.55 -5.12 0.19 0.00 -0.02 0.00 0.00 35.03 30.63 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 -4.06 2.43 -3.52 1.97 4.76 0.01 -4.99 118.16 114.75 2vae n LYS 139 Ca -0.22 -2.14 -0.28 0.00 -2.87 0.00 0.00 58.31 52.80 2vae n LYS 139 Cb 0.65 -1.39 -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 -1.12 5.11 -0.31 -0.18 -4.23 -1.26 -0.76 115.64 112.90 2vae s THR 140 Ca 0.32 -0.11 0.16 0.00 -1.18 0.00 0.00 61.69 60.88 2vae s THR 140 Cb 0.18 -3.72 0.47 0.00 1.34 0.00 0.00 72.50 70.77 2vae s THR 140 CO 0.24 -0.22 1.08 0.23 -0.54 0.00 0.00 174.62 175.41 2vae n MET 141 N -0.70 2.13 0.00 3.99 0.00 0.10 -4.80 117.12 117.85 2vae n MET 141 Ca -0.03 -3.69 0.00 0.00 0.00 0.00 0.00 57.70 53.98 2vae n MET 141 Cb 0.54 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 32.05 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 -0.44 0.84 3.82 3.03 0.00 -1.26 -4.56 105.19 106.61 2vae n GLY 142 Ca 0.19 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.71 3.61 0.70 1.61 0.52 -1.26 -0.78 118.94 120.63 2vae s TRP 143 Ca 0.00 1.39 -0.15 0.00 0.02 0.00 0.00 56.10 57.36 2vae s TRP 143 Cb 0.00 -2.63 0.02 0.00 -1.15 0.00 0.00 33.47 29.71 2vae s TRP 143 CO 0.00 0.29 1.17 -1.21 0.02 0.00 0.00 176.95 177.22 2vae s GLU 144 N -2.13 2.39 0.74 4.98 0.41 -0.29 -4.85 118.70 119.95 2vae s GLU 144 Ca 0.45 1.64 -0.15 0.00 -0.41 0.00 0.00 54.97 56.50 2vae s GLU 144 Cb -0.16 -1.88 0.04 0.00 -1.78 0.00 0.00 34.13 30.36 2vae s GLU 144 CO 0.21 -1.61 1.21 -1.25 -0.49 0.00 0.00 175.26 173.32 2vae s PRO 145 N -3.94 2.08 0.23 0.39 0.04 -1.26 -4.78 135.00 127.77 2vae s PRO 145 Ca 0.72 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.53 2vae s PRO 145 Cb -0.26 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2vae s PRO 145 CO 0.43 -1.88 0.07 -1.54 0.04 0.00 0.00 177.00 174.13 2vae s SER 146 N -2.05 1.11 -0.10 6.66 1.04 0.05 -4.97 113.70 115.45 2vae s SER 146 Ca 0.74 -1.33 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 2vae s SER 146 Cb -0.29 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.04 2vae s SER 146 CO 0.46 -0.70 0.03 -0.89 0.98 0.00 0.00 173.24 173.12 2vae s THR 147 N -3.76 0.26 0.01 2.02 2.01 -1.26 -0.89 115.64 114.03 2vae s THR 147 Ca 0.34 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.21 2vae s THR 147 Cb 0.07 -0.56 -0.06 0.00 0.01 0.00 0.00 72.50 71.97 2vae s THR 147 CO 0.11 0.09 0.45 -0.70 -0.69 0.00 0.00 174.62 173.88 2vae s GLU 148 N 2.01 4.00 -0.28 4.92 2.12 0.45 -4.54 118.70 127.38 2vae s GLU 148 Ca 0.04 0.49 -0.10 0.00 0.36 0.00 0.00 54.97 55.76 2vae s GLU 148 Cb -0.14 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 2vae s GLU 148 CO -0.06 0.66 0.15 0.50 -0.54 0.00 0.00 175.26 175.98 2vae s ARG 149 N -1.03 3.73 0.17 4.30 3.00 -0.06 -1.34 118.95 127.71 2vae s ARG 149 Ca 0.25 -0.46 0.09 0.00 -1.00 0.00 0.00 55.73 54.61 2vae s ARG 149 Cb -0.17 -3.55 -0.04 0.00 0.00 0.00 0.00 34.95 31.18 2vae s ARG 149 CO 0.15 -0.24 -0.13 -0.51 0.00 0.00 0.00 175.30 174.56 2vae s LEU 150 N 1.69 2.85 0.08 -0.88 1.02 0.27 -1.21 118.68 122.50 2vae s LEU 150 Ca 0.06 -0.61 -0.25 0.00 0.02 0.00 0.00 54.13 53.36 2vae s LEU 150 Cb -0.16 -1.57 0.07 0.00 0.02 0.00 0.00 46.19 44.54 2vae s LEU 150 CO 0.08 0.12 0.60 -0.72 0.02 0.00 0.00 176.35 176.45 2vae s TYR 151 N -1.58 -0.54 0.27 0.29 1.13 -0.42 -1.75 117.35 114.75 2vae s TYR 151 Ca 0.23 0.56 -0.23 0.00 -1.41 0.00 0.00 57.07 56.22 2vae s TYR 151 Cb -0.09 0.47 -0.09 0.00 -1.10 0.00 0.00 41.96 41.15 2vae s TYR 151 CO 0.13 -0.75 0.83 -1.25 -2.51 0.00 0.00 175.55 172.00 2vae s PRO 152 N -2.84 4.41 -0.24 -3.49 0.04 -1.26 -1.36 135.00 130.27 2vae s PRO 152 Ca -0.03 1.09 -0.20 0.00 0.04 0.00 0.00 61.00 61.90 2vae s PRO 152 Cb -0.01 -2.86 0.07 0.00 0.04 0.00 0.00 34.50 31.74 2vae s PRO 152 CO -0.05 0.35 0.63 0.50 0.04 0.00 0.00 177.00 178.47 2vae s ARG 153 N -1.98 0.71 -1.54 4.56 3.52 -0.36 -4.94 118.95 118.93 2vae s ARG 153 Ca 0.46 0.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.00 2vae s ARG 153 Cb -0.18 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2vae s ARG 153 CO 0.22 -0.10 0.00 -3.47 -0.81 0.00 0.00 175.30 171.14 2vae n ASP 154 N 3.14 -5.09 0.00 -2.12 4.64 -1.26 -1.02 116.55 114.84 2vae n ASP 154 Ca -0.16 0.05 0.00 0.00 -1.38 0.00 0.00 54.79 53.30 2vae n ASP 154 Cb 0.56 -4.17 0.00 0.00 -1.04 0.00 0.00 41.12 36.47 2vae n ASP 154 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2vae n GLY 155 N -0.99 0.36 3.61 0.27 0.00 -1.26 -5.00 105.19 102.18 2vae n GLY 155 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2vae n GLY 155 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2vae n VAL 156 N -2.42 0.00 -4.40 1.61 0.24 -0.19 -4.88 118.33 108.29 2vae n VAL 156 Ca 0.00 -2.48 -0.34 0.00 -2.04 0.00 0.00 64.34 59.48 2vae n VAL 156 Cb 0.16 0.71 -0.11 0.00 -1.47 0.00 0.00 33.84 33.13 2vae n VAL 156 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2vae s LEU 157 N 0.00 3.36 0.16 1.34 2.96 -0.93 -1.22 118.68 124.34 2vae s LEU 157 Ca 0.12 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.07 2vae s LEU 157 Cb 0.01 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2vae s LEU 157 CO 0.08 0.25 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.65 2vae s LYS 158 N -0.10 1.22 -0.02 1.98 1.02 -0.46 -0.51 119.74 122.87 2vae s LYS 158 Ca 0.03 -1.39 -0.24 0.00 0.02 0.00 0.00 55.97 54.39 2vae s LYS 158 Cb -0.13 -1.21 0.05 0.00 -0.52 0.00 0.00 37.83 36.02 2vae s LYS 158 CO 0.02 0.24 0.53 0.20 -0.92 0.00 0.00 175.35 175.42 2vae s GLY 159 N -2.68 -0.41 0.08 -3.33 0.00 -0.61 -1.30 107.32 99.07 2vae s GLY 159 Ca 0.15 0.88 0.04 0.00 0.00 0.00 0.00 44.72 45.78 2vae s GLY 159 CO 0.06 0.58 -0.10 -0.54 0.00 0.00 0.00 173.10 173.09 2vae s GLU 160 N -1.40 0.78 -0.08 2.90 8.01 -0.35 -0.11 118.70 128.45 2vae s GLU 160 Ca -0.11 -1.04 -0.07 0.00 0.01 0.00 0.00 54.97 53.76 2vae s GLU 160 Cb -0.02 -0.53 0.02 0.00 -4.31 0.00 0.00 34.13 29.29 2vae s GLU 160 CO 0.06 0.09 0.20 0.42 0.01 0.00 0.00 175.26 176.05 2vae s ILE 161 N -2.03 -0.01 -0.51 -1.63 1.01 -0.52 -0.88 121.20 116.63 2vae s ILE 161 Ca 0.01 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 2vae s ILE 161 Cb -0.05 -0.29 0.07 0.00 0.01 0.00 0.00 42.46 42.20 2vae s ILE 161 CO 0.00 0.01 0.56 -1.00 0.00 0.00 0.00 174.94 174.51 2vae s HIS 162 N 0.24 3.11 0.41 3.97 3.76 -1.26 -0.80 115.29 124.71 2vae s HIS 162 Ca -0.01 -0.76 0.08 0.00 -0.15 0.00 0.00 55.06 54.22 2vae s HIS 162 Cb -0.02 -3.51 -0.02 0.00 1.11 0.00 0.00 32.58 30.14 2vae s HIS 162 CO -0.01 -1.00 0.41 0.15 -0.85 0.00 0.00 174.74 173.44 2vae s LYS 163 N 2.28 2.60 -0.21 1.40 1.02 0.02 -4.78 119.74 122.08 2vae s LYS 163 Ca 0.11 -1.47 -0.15 0.00 0.02 0.00 0.00 55.97 54.48 2vae s LYS 163 Cb -0.22 -2.45 0.06 0.00 -0.52 0.00 0.00 37.83 34.70 2vae s LYS 163 CO 0.09 -0.19 0.53 0.00 -0.92 0.00 0.00 175.35 174.86 2vae s ALA 164 N -2.44 -1.36 -0.08 5.17 0.00 -1.26 -1.94 121.76 119.85 2vae s ALA 164 Ca 0.49 1.73 -0.12 0.00 0.00 0.00 0.00 51.96 54.06 2vae s ALA 164 Cb -0.05 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 2vae s ALA 164 CO 0.29 -0.29 0.30 -0.51 0.00 0.00 0.00 175.76 175.55 2vae s LEU 165 N 1.01 4.38 0.31 0.00 1.43 0.13 -1.14 118.68 124.80 2vae s LEU 165 Ca -0.06 0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 53.44 2vae s LEU 165 Cb -0.06 -2.37 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 2vae s LEU 165 CO -0.09 0.28 1.07 -0.54 0.23 0.00 0.00 176.35 177.30 2vae s LYS 166 N -0.57 4.52 -0.09 1.70 1.02 0.04 -0.51 119.74 125.85 2vae s LYS 166 Ca 0.19 1.69 -0.04 0.00 0.02 0.00 0.00 55.97 57.83 2vae s LYS 166 Cb -0.14 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2vae s LYS 166 CO 0.08 0.14 0.09 -0.51 -0.92 0.00 0.00 175.35 174.23 2vae s LEU 167 N -1.77 4.09 0.25 3.17 1.43 -0.66 0.01 118.68 125.19 2vae s LEU 167 Ca 0.48 0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.87 2vae s LEU 167 Cb -0.28 -2.05 0.45 0.00 0.03 0.00 0.00 46.19 44.34 2vae s LEU 167 CO 0.36 0.38 1.76 0.11 0.23 0.00 0.00 176.35 179.19 2vae h LYS 168 N 4.87 0.54 -0.62 1.70 1.57 -1.26 -0.30 116.57 123.08 2vae h LYS 168 Ca -0.53 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2vae h LYS 168 Cb 1.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2vae h LYS 168 CO 0.58 0.36 0.00 -0.25 -0.57 0.00 0.00 179.45 179.57 2vae n ASP 169 N -4.91 2.75 0.00 0.86 8.00 -1.26 -5.01 116.55 116.98 2vae n ASP 169 Ca 0.14 -2.27 0.00 0.00 0.71 0.00 0.00 54.79 53.38 2vae n ASP 169 Cb 0.38 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 2vae n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vae n GLY 170 N 0.63 0.72 7.00 0.44 0.00 -0.12 -5.11 105.19 108.74 2vae n GLY 170 Ca 0.13 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 0.80 -1.85 3.11 -0.02 0.00 -1.26 -4.50 105.19 101.48 2vae n GLY 171 Ca 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 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 0.91 -0.23 1.61 3.76 -1.26 -1.66 115.29 118.41 2vae s HIS 172 Ca 0.00 -0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 2vae s HIS 172 Cb 0.00 -0.52 0.03 0.00 1.11 0.00 0.00 32.58 33.19 2vae s HIS 172 CO 0.00 -0.03 -0.09 -0.47 -0.85 0.00 0.00 174.74 173.30 2vae s TYR 173 N -1.50 3.03 0.09 1.40 5.04 0.34 -4.92 117.35 120.82 2vae s TYR 173 Ca -0.05 -1.61 -0.14 0.00 -2.44 0.00 0.00 57.07 52.82 2vae s TYR 173 Cb -0.09 -2.02 -0.06 0.00 0.35 0.00 0.00 41.96 40.14 2vae s TYR 173 CO 0.01 -0.75 0.48 -0.51 -1.34 0.00 0.00 175.55 173.45 2vae s LEU 174 N 1.30 4.40 -0.13 6.97 1.43 -1.26 -0.69 118.68 130.70 2vae s LEU 174 Ca 0.00 1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 54.03 2vae s LEU 174 Cb -0.16 -2.98 0.04 0.00 0.03 0.00 0.00 46.19 43.12 2vae s LEU 174 CO -0.06 0.20 0.32 0.54 0.23 0.00 0.00 176.35 177.58 2vae s VAL 175 N -1.31 -0.02 -0.16 -1.59 0.11 -0.82 -1.28 120.40 115.34 2vae s VAL 175 Ca 0.32 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.32 2vae s VAL 175 Cb -0.16 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 2vae s VAL 175 CO 0.17 0.03 0.21 -0.70 -3.33 0.00 0.00 175.10 171.49 2vae s GLU 176 N 0.78 4.11 -0.13 1.54 2.12 -0.20 -0.80 118.70 126.12 2vae s GLU 176 Ca -0.05 -0.05 -0.05 0.00 0.36 0.00 0.00 54.97 55.18 2vae s GLU 176 Cb -0.06 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2vae s GLU 176 CO -0.05 0.35 0.05 -0.06 -0.54 0.00 0.00 175.26 175.01 2vae s PHE 177 N 0.16 3.27 -0.14 5.30 0.40 0.02 -0.84 117.98 126.15 2vae s PHE 177 Ca 0.13 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.64 2vae s PHE 177 Cb -0.12 -1.94 0.02 0.00 0.51 0.00 0.00 43.02 41.49 2vae s PHE 177 CO 0.02 0.37 -0.13 0.15 0.70 0.00 0.00 175.22 176.32 2vae s LYS 178 N -0.35 2.18 0.19 0.44 1.02 -0.27 -1.44 119.74 121.50 2vae s LYS 178 Ca 0.08 -0.51 0.11 0.00 0.02 0.00 0.00 55.97 55.67 2vae s LYS 178 Cb -0.12 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 2vae s LYS 178 CO 0.02 -0.22 -0.22 -1.12 -0.92 0.00 0.00 175.35 172.88 2vae s SER 179 N 1.47 3.21 -0.06 2.83 0.01 0.85 -0.95 113.70 121.05 2vae s SER 179 Ca 0.04 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2vae s SER 179 Cb -0.13 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.90 2vae s SER 179 CO -0.09 0.08 -0.03 -0.63 0.41 0.00 0.00 173.24 172.97 2vae s ILE 180 N -1.78 0.55 -0.20 1.44 1.09 0.12 -1.58 121.20 120.84 2vae s ILE 180 Ca 0.19 -0.07 -0.03 0.00 -1.10 0.00 0.00 60.65 59.65 2vae s ILE 180 Cb -0.07 -0.61 -0.00 0.00 -1.06 0.00 0.00 42.46 40.71 2vae s ILE 180 CO 0.09 0.25 -0.08 -0.31 -0.10 0.00 0.00 174.94 174.79 2vae s TYR 181 N 1.34 2.91 -0.31 3.97 2.02 0.34 -0.65 117.35 126.96 2vae s TYR 181 Ca -0.04 -1.02 0.02 0.00 -0.37 0.00 0.00 57.07 55.65 2vae s TYR 181 Cb -0.13 -2.04 0.09 0.00 -0.40 0.00 0.00 41.96 39.48 2vae s TYR 181 CO -0.02 -0.55 0.04 -1.64 -1.57 0.00 0.00 175.55 171.81 2vae s MET 182 N 1.29 1.29 0.45 -0.62 -1.94 0.10 -2.19 119.30 117.69 2vae s MET 182 Ca 0.04 -1.47 -0.25 0.00 -1.71 0.00 0.00 55.69 52.30 2vae s MET 182 Cb -0.14 -2.72 -0.09 0.00 2.01 0.00 0.00 34.83 33.89 2vae s MET 182 CO -0.04 -0.89 1.38 0.00 -0.01 0.00 0.00 175.02 175.47 2vae n ALA 183 N 4.51 1.81 0.14 3.03 0.00 -1.26 -0.84 120.51 127.89 2vae n ALA 183 Ca -0.01 0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.70 2vae n ALA 183 Cb 0.42 -2.36 0.38 0.00 0.00 0.00 0.00 19.45 17.90 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 2.20 0.17 -4.48 0.00 1.57 -1.54 -3.39 116.57 111.10 2vae h LYS 184 Ca -0.50 -0.05 -0.50 0.00 -1.87 0.00 0.00 60.65 57.73 2vae h LYS 184 Cb 1.28 -0.02 -0.33 0.00 0.08 0.00 0.00 32.23 33.23 2vae h LYS 184 CO 0.60 0.37 -0.81 0.21 -0.57 0.00 0.00 179.45 179.26 2vae s LYS 185 N -4.58 1.59 -0.08 3.15 2.20 -1.26 -5.10 119.74 115.66 2vae s LYS 185 Ca -0.05 -0.37 -0.37 0.00 -0.36 0.00 0.00 55.97 54.82 2vae s LYS 185 Cb 0.15 -1.33 -0.14 0.00 -1.51 0.00 0.00 37.83 35.00 2vae s LYS 185 CO 0.73 0.02 1.68 -2.30 -0.36 0.00 0.00 175.35 175.11 2vae n PRO 186 N 3.83 1.62 -4.60 4.03 -0.02 -1.26 -4.93 135.00 133.67 2vae n PRO 186 Ca -0.23 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.54 2vae n PRO 186 Cb 0.52 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 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 2.66 1.58 0.32 -1.45 -7.23 -1.26 -5.10 120.40 109.92 2vae s VAL 187 Ca 0.91 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.85 2vae s VAL 187 Cb -0.87 -2.52 -0.11 0.00 0.56 0.00 0.00 36.38 33.45 2vae s VAL 187 CO 0.53 0.00 1.49 -1.10 -0.31 0.00 0.00 175.10 175.71 2vae s GLN 188 N -3.85 4.17 0.06 4.82 -0.21 -1.26 -5.00 119.66 118.39 2vae s GLN 188 Ca 0.21 2.48 0.02 0.00 0.02 0.00 0.00 55.36 58.09 2vae s GLN 188 Cb 0.04 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.99 2vae s GLN 188 CO 0.11 -0.50 0.11 -0.51 -2.12 0.00 0.00 175.29 172.38 2vae s LEU 189 N -1.30 3.94 0.96 2.90 1.43 -1.26 -4.25 118.68 121.09 2vae s LEU 189 Ca 0.56 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.58 2vae s LEU 189 Cb -0.45 -2.56 0.19 0.00 0.03 0.00 0.00 46.19 43.40 2vae s LEU 189 CO 0.54 0.19 1.31 -2.16 0.23 0.00 0.00 176.35 176.45 2vae s PRO 190 N -2.33 0.69 0.00 1.29 0.04 -1.26 -4.77 135.00 128.66 2vae s PRO 190 Ca 0.30 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.97 2vae s PRO 190 Cb -0.12 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2vae s PRO 190 CO 0.22 -2.39 0.00 0.41 0.04 0.00 0.00 177.00 175.28 2vae n GLY 191 N -3.67 1.46 3.68 0.56 0.00 -1.26 -4.25 105.19 101.70 2vae n GLY 191 Ca 0.15 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 1.88 2.60 0.33 1.61 5.04 -1.26 -4.42 117.35 123.12 2vae s TYR 192 Ca 0.00 0.66 -0.10 0.00 -2.44 0.00 0.00 57.07 55.20 2vae s TYR 192 Cb 0.00 -3.71 0.04 0.00 0.35 0.00 0.00 41.96 38.64 2vae s TYR 192 CO 0.00 -2.74 0.61 2.48 -1.34 0.00 0.00 175.55 174.56 2vae n TYR 193 N 6.09 -1.96 -4.31 4.97 4.11 -0.71 -4.81 117.16 120.54 2vae n TYR 193 Ca 0.14 -1.70 -0.20 0.00 -0.00 0.00 0.00 57.90 56.14 2vae n TYR 193 Cb 0.43 0.71 -0.13 0.00 -0.00 0.00 0.00 39.34 40.36 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 -3.19 1.33 -0.15 -3.48 1.51 -0.24 -0.56 117.35 112.57 2vae s TYR 194 Ca 0.16 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 2vae s TYR 194 Cb -0.03 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 41.07 2vae s TYR 194 CO 0.12 0.07 -0.17 0.08 -1.11 0.00 0.00 175.55 174.53 2vae s VAL 195 N -1.02 1.78 -0.01 0.71 1.01 -0.45 -0.51 120.40 121.90 2vae s VAL 195 Ca 0.01 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 2vae s VAL 195 Cb -0.09 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2vae s VAL 195 CO 0.02 0.49 0.64 -1.81 0.00 0.00 0.00 175.10 174.45 2vae s ASP 196 N 1.25 7.01 0.08 3.32 1.01 -0.40 -0.41 116.67 128.53 2vae s ASP 196 Ca 0.01 1.20 0.03 0.00 0.71 0.00 0.00 52.55 54.51 2vae s ASP 196 Cb -0.14 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 2vae s ASP 196 CO -0.09 0.03 -0.09 -0.44 0.21 0.00 0.00 175.17 174.79 2vae s SER 197 N 0.10 1.29 -0.15 0.27 0.01 -0.07 -1.19 113.70 113.95 2vae s SER 197 Ca 0.34 -0.78 -0.05 0.00 1.31 0.00 0.00 55.95 56.77 2vae s SER 197 Cb -0.18 0.02 0.07 0.00 0.21 0.00 0.00 66.02 66.15 2vae s SER 197 CO 0.18 -0.27 0.27 -0.75 0.41 0.00 0.00 173.24 173.08 2vae s LYS 198 N -2.64 0.17 -0.18 12.44 2.20 -0.00 -0.77 119.74 130.96 2vae s LYS 198 Ca 0.03 0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 56.26 2vae s LYS 198 Cb -0.03 -0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.02 2vae s LYS 198 CO -0.01 -0.37 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.36 2vae s LEU 199 N 2.42 2.85 -0.03 5.43 2.96 -1.26 -1.70 118.68 129.35 2vae s LEU 199 Ca 0.03 -0.34 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 2vae s LEU 199 Cb -0.13 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2vae s LEU 199 CO -0.10 0.08 -0.23 -1.81 -1.32 0.00 0.00 176.35 172.97 2vae s ASP 200 N 0.89 2.77 -0.20 3.68 1.01 0.27 -4.51 116.67 120.57 2vae s ASP 200 Ca -0.02 -0.44 -0.24 0.00 0.71 0.00 0.00 52.55 52.56 2vae s ASP 200 Cb -0.15 -0.50 -0.01 0.00 1.01 0.00 0.00 42.92 43.27 2vae s ASP 200 CO 0.01 0.26 0.81 -0.63 0.21 0.00 0.00 175.17 175.82 2vae s ILE 201 N -0.36 4.88 -0.08 0.77 -1.09 -1.26 -0.85 121.20 123.20 2vae s ILE 201 Ca 0.04 1.56 0.16 0.00 -2.23 0.00 0.00 60.65 60.18 2vae s ILE 201 Cb -0.11 -4.11 -0.24 0.00 -1.58 0.00 0.00 42.46 36.43 2vae s ILE 201 CO 0.01 -0.01 0.24 0.35 -1.23 0.00 0.00 174.94 174.30 2vae n THR 202 N 4.96 0.47 -3.58 2.92 -2.24 -0.29 -4.98 114.28 111.53 2vae n THR 202 Ca 0.04 -0.52 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 2vae n THR 202 Cb 0.48 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 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 -4.41 -0.38 -0.15 3.42 1.04 -1.22 -4.99 113.70 107.01 2vae s SER 203 Ca -0.07 -0.18 -0.30 0.00 0.48 0.00 0.00 55.95 55.87 2vae s SER 203 Cb 0.08 0.54 0.13 0.00 0.10 0.00 0.00 66.02 66.88 2vae s SER 203 CO 0.69 -0.93 1.04 -1.38 0.98 0.00 0.00 173.24 173.65 2vae s HIS 204 N -3.52 -0.30 0.77 5.02 -0.00 -1.26 -0.83 115.29 115.17 2vae s HIS 204 Ca 0.06 0.42 -0.10 0.00 -0.00 0.00 0.00 55.06 55.44 2vae s HIS 204 Cb -0.02 0.48 0.17 0.00 -0.00 0.00 0.00 32.58 33.21 2vae s HIS 204 CO -0.05 -0.33 1.05 0.27 -0.00 0.00 0.00 174.74 175.68 2vae n ASN 205 N 0.42 0.41 -0.29 7.38 6.94 -0.67 -4.95 115.26 124.50 2vae n ASN 205 Ca -0.07 -1.58 -0.01 0.00 -0.02 0.00 0.00 54.58 52.90 2vae n ASN 205 Cb 0.59 -0.77 0.18 0.00 -2.36 0.00 0.00 39.78 37.42 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 1.15 -0.39 -3.83 4.81 -2.02 -2.73 114.58 111.56 2vae h GLU 206 Ca -0.34 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2vae h GLU 206 Cb 1.02 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2vae h GLU 206 CO 0.27 0.76 0.00 -0.40 -0.73 0.00 0.00 179.01 178.91 2vae n ASP 207 N -4.40 3.79 -3.17 1.04 5.75 -1.26 -4.95 116.55 113.35 2vae n ASP 207 Ca 0.10 -2.51 -0.23 0.00 -0.01 0.00 0.00 54.79 52.14 2vae n ASP 207 Cb 0.02 -0.44 0.04 0.00 -1.03 0.00 0.00 41.12 39.71 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 0.28 -2.10 0.71 2.11 4.02 -1.03 -4.54 117.16 116.60 2vae n TYR 208 Ca 0.19 0.60 0.12 0.00 -0.01 0.00 0.00 57.90 58.80 2vae n TYR 208 Cb 0.73 -4.42 0.22 0.00 -0.02 0.00 0.00 39.34 35.86 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 -4.54 0.25 -3.99 -0.72 -2.24 -1.26 -4.78 114.28 97.00 2vae n THR 209 Ca -0.08 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 2vae n THR 209 Cb 0.60 -0.06 -0.17 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.11 0.35 -0.05 2.28 1.01 -1.26 -0.78 121.20 119.65 2vae s ILE 210 Ca 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 2vae s ILE 210 Cb 0.15 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 42.19 2vae s ILE 210 CO 0.70 0.20 0.13 -0.69 0.00 0.00 0.00 174.94 175.28 2vae s VAL 211 N 1.19 -0.00 0.05 2.92 1.01 -0.53 -1.67 120.40 123.37 2vae s VAL 211 Ca -0.07 0.01 0.08 0.00 0.00 0.00 0.00 61.98 61.99 2vae s VAL 211 Cb -0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2vae s VAL 211 CO -0.02 0.00 -0.20 -1.61 0.00 0.00 0.00 175.10 173.28 2vae s GLU 212 N 0.12 2.00 0.11 2.72 2.02 -0.01 -0.44 118.70 125.21 2vae s GLU 212 Ca -0.00 -1.02 0.03 0.00 0.02 0.00 0.00 54.97 54.00 2vae s GLU 212 Cb -0.01 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2vae s GLU 212 CO -0.00 0.53 -0.09 -0.65 0.02 0.00 0.00 175.26 175.07 2vae s GLN 213 N -1.46 0.89 -0.01 1.61 -0.21 0.14 -1.14 119.66 119.49 2vae s GLN 213 Ca 0.14 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.24 2vae s GLN 213 Cb -0.10 -0.44 0.01 0.00 1.00 0.00 0.00 33.01 33.47 2vae s GLN 213 CO 0.05 0.04 -0.01 -0.47 -2.12 0.00 0.00 175.29 172.78 2vae s TYR 214 N -3.07 0.21 -0.01 0.91 5.04 -0.03 -1.60 117.35 118.80 2vae s TYR 214 Ca 0.10 -0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.73 2vae s TYR 214 Cb 0.01 -0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.13 2vae s TYR 214 CO -0.01 -0.03 -0.05 -2.00 -1.34 0.00 0.00 175.55 172.11 2vae s GLU 215 N 0.23 0.53 -0.09 4.97 2.12 -0.17 -0.57 118.70 125.71 2vae s GLU 215 Ca -0.02 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.17 2vae s GLU 215 Cb -0.04 -0.53 -0.02 0.00 0.26 0.00 0.00 34.13 33.80 2vae s GLU 215 CO -0.01 0.06 -0.16 0.50 -0.54 0.00 0.00 175.26 175.12 2vae s ARG 216 N 0.17 2.94 -0.13 4.30 3.52 -0.69 -1.55 118.95 127.51 2vae s ARG 216 Ca -0.02 -0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 54.74 2vae s ARG 216 Cb -0.06 -2.45 0.04 0.00 -1.56 0.00 0.00 34.95 30.92 2vae s ARG 216 CO -0.00 0.38 0.33 0.00 -0.81 0.00 0.00 175.30 175.20 2vae s ALA 217 N -0.10 -0.82 -0.06 6.12 0.00 0.04 -0.82 121.76 126.11 2vae s ALA 217 Ca -0.03 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.91 2vae s ALA 217 Cb -0.14 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.41 2vae s ALA 217 CO 0.04 -0.17 0.15 -1.21 0.00 0.00 0.00 175.76 174.56 2vae s GLU 218 N 0.43 0.11 0.24 0.00 2.02 -0.33 -2.00 118.70 119.17 2vae s GLU 218 Ca -0.02 0.33 -0.08 0.00 0.02 0.00 0.00 54.97 55.22 2vae s GLU 218 Cb -0.04 -0.12 -0.07 0.00 0.10 0.00 0.00 34.13 34.00 2vae s GLU 218 CO -0.02 -0.13 0.55 0.20 0.02 0.00 0.00 175.26 175.87 2vae s GLY 219 N 0.92 2.18 0.13 -1.39 0.00 0.19 -1.28 107.32 108.09 2vae s GLY 219 Ca -0.07 -0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.06 2vae s GLY 219 CO -0.05 -0.22 0.73 1.09 0.00 0.00 0.00 173.10 174.65 2vae s ARG 220 N -2.99 1.23 0.78 2.90 1.70 0.33 -4.36 118.95 118.55 2vae s ARG 220 Ca 0.46 -0.52 -0.11 0.00 -0.47 0.00 0.00 55.73 55.09 2vae s ARG 220 Cb -0.11 0.52 0.06 0.00 -0.57 0.00 0.00 34.95 34.85 2vae s ARG 220 CO 0.23 -0.54 1.08 -1.01 -1.08 0.00 0.00 175.30 173.98 2vae s HIS 221 N -3.57 2.70 0.43 5.89 3.76 -1.26 -1.07 115.29 122.17 2vae s HIS 221 Ca 0.05 1.38 -0.24 0.00 -0.15 0.00 0.00 55.06 56.10 2vae s HIS 221 Cb -0.02 -3.04 -0.10 0.00 1.11 0.00 0.00 32.58 30.53 2vae s HIS 221 CO -0.08 -1.78 0.98 1.58 -0.85 0.00 0.00 174.74 174.59 2vae n HIS 222 N -3.49 1.04 0.31 1.40 -0.00 -1.26 -4.81 115.22 108.40 2vae n HIS 222 Ca 0.08 0.55 0.19 0.00 0.46 0.00 0.00 57.72 59.00 2vae n HIS 222 Cb 0.54 -2.21 0.91 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 1.41 0.00 -0.89 0.27 3.38 -2.04 -2.72 115.31 114.72 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 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2vae h LEU 223 CO 0.56 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.58 2vae n PHE 224 N -3.01 0.03 1.43 1.13 0.99 -1.26 -5.32 117.46 111.45 2vae n PHE 224 Ca -0.01 -0.02 0.14 0.00 -0.00 0.00 0.00 57.45 57.56 2vae n PHE 224 Cb 0.19 0.00 0.47 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