#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 4.71 0.77 1.55 1.01 -1.26 -5.04 121.20 122.95 2vae s ILE 8 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 2vae s ILE 8 Cb 0.00 -4.38 0.07 0.00 0.01 0.00 0.00 42.46 38.17 2vae s ILE 8 CO 0.00 -0.90 1.12 -0.54 0.00 0.00 0.00 174.94 174.62 2vae s LYS 9 N 3.08 2.03 0.54 2.79 -0.14 -1.26 -4.97 119.74 121.81 2vae s LYS 9 Ca 0.20 -0.02 0.31 0.00 -1.36 0.00 0.00 55.97 55.10 2vae s LYS 9 Cb -0.17 -2.02 1.51 0.00 -1.68 0.00 0.00 37.83 35.47 2vae s LYS 9 CO 0.15 -1.48 2.07 0.93 -0.76 0.00 0.00 175.35 176.26 2vae h GLU 10 N -0.91 0.00 -4.99 1.68 5.08 -1.96 -3.39 114.58 110.10 2vae h GLU 10 Ca -0.45 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.29 2vae h GLU 10 Cb 1.32 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.24 2vae h GLU 10 CO 0.64 0.09 -0.85 0.12 -1.00 0.00 0.00 179.01 178.01 2vae s PHE 11 N -4.03 2.20 -0.00 4.33 5.36 -1.26 -3.82 117.98 120.76 2vae s PHE 11 Ca -0.02 -0.96 0.02 0.00 -0.96 0.00 0.00 56.93 55.00 2vae s PHE 11 Cb 0.12 -1.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.27 2vae s PHE 11 CO 0.56 -0.44 -0.06 -1.64 -1.46 0.00 0.00 175.22 172.18 2vae s MET 12 N 0.66 0.48 0.24 10.12 -1.94 -0.56 -5.02 119.30 123.29 2vae s MET 12 Ca -0.13 -0.25 0.04 0.00 -1.71 0.00 0.00 55.69 53.65 2vae s MET 12 Cb -0.16 -0.44 -0.03 0.00 2.01 0.00 0.00 34.83 36.20 2vae s MET 12 CO 0.03 0.12 0.37 1.03 -0.01 0.00 0.00 175.02 176.56 2vae s ARG 13 N -0.25 3.44 0.07 2.03 0.52 -1.26 -1.19 118.95 122.31 2vae s ARG 13 Ca 0.01 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2vae s ARG 13 Cb -0.03 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 2vae s ARG 13 CO -0.00 0.41 -0.05 -0.59 0.02 0.00 0.00 175.30 175.09 2vae s PHE 14 N -1.99 0.71 -0.01 -0.53 -0.12 -0.13 -1.13 117.98 114.77 2vae s PHE 14 Ca 0.35 -0.93 0.06 0.00 -0.05 0.00 0.00 56.93 56.35 2vae s PHE 14 Cb -0.09 -0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 41.84 2vae s PHE 14 CO 0.30 -0.24 -0.20 0.15 -0.05 0.00 0.00 175.22 175.17 2vae s LYS 15 N -3.63 1.65 0.00 1.99 1.02 -0.27 -0.52 119.74 119.98 2vae s LYS 15 Ca 0.07 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.35 2vae s LYS 15 Cb 0.05 -1.60 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 2vae s LYS 15 CO -0.06 0.44 -0.06 0.54 -0.92 0.00 0.00 175.35 175.29 2vae s VAL 16 N -0.49 0.45 -0.03 3.17 0.11 -0.36 -0.67 120.40 122.59 2vae s VAL 16 Ca 0.08 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 2vae s VAL 16 Cb -0.08 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2vae s VAL 16 CO -0.01 0.05 -0.07 -0.60 -3.33 0.00 0.00 175.10 171.14 2vae s ARG 17 N -0.34 0.80 -0.05 1.54 3.52 -0.61 -0.56 118.95 123.25 2vae s ARG 17 Ca 0.00 -0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.43 2vae s ARG 17 Cb -0.03 -0.77 -0.01 0.00 -1.56 0.00 0.00 34.95 32.58 2vae s ARG 17 CO -0.00 0.06 -0.22 1.41 -0.81 0.00 0.00 175.30 175.75 2vae s MET 18 N 0.31 2.25 -0.20 5.12 -2.45 0.13 -0.83 119.30 123.63 2vae s MET 18 Ca -0.04 -0.77 -0.04 0.00 -1.25 0.00 0.00 55.69 53.59 2vae s MET 18 Cb -0.09 -1.91 -0.02 0.00 1.25 0.00 0.00 34.83 34.07 2vae s MET 18 CO 0.00 0.31 -0.04 -1.21 1.05 0.00 0.00 175.02 175.13 2vae s GLU 19 N -0.04 3.48 0.22 4.11 2.02 -0.38 -1.40 118.70 126.72 2vae s GLU 19 Ca -0.05 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.35 2vae s GLU 19 Cb -0.13 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2vae s GLU 19 CO 0.03 -0.04 0.17 0.20 0.02 0.00 0.00 175.26 175.64 2vae s GLY 20 N 1.09 1.57 -0.06 -1.39 0.00 -0.32 -1.87 107.32 106.34 2vae s GLY 20 Ca 0.01 -1.74 -0.10 0.00 0.00 0.00 0.00 44.72 42.89 2vae s GLY 20 CO 0.00 -1.39 0.24 -0.45 0.00 0.00 0.00 173.10 171.50 2vae s SER 21 N -3.19 -0.19 -0.05 1.64 0.15 -0.34 -0.92 113.70 110.80 2vae s SER 21 Ca 0.39 0.27 -0.01 0.00 0.70 0.00 0.00 55.95 57.30 2vae s SER 21 Cb 0.06 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 2vae s SER 21 CO 0.15 -0.22 0.03 -0.69 1.20 0.00 0.00 173.24 173.71 2vae s VAL 22 N -0.48 0.09 -1.51 4.45 1.01 -0.45 -0.73 120.40 122.78 2vae s VAL 22 Ca -0.06 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 2vae s VAL 22 Cb -0.04 -0.28 0.10 0.00 0.00 0.00 0.00 36.38 36.16 2vae s VAL 22 CO 0.01 0.19 0.78 0.59 0.00 0.00 0.00 175.10 176.68 2vae n ASN 23 N 4.97 -4.20 0.00 3.32 4.13 -0.26 -0.87 115.26 122.35 2vae n ASN 23 Ca -0.10 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.45 2vae n ASN 23 Cb 0.50 -3.41 0.00 0.00 -1.54 0.00 0.00 39.78 35.34 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 -1.46 1.38 3.56 7.41 0.00 -1.26 -5.02 105.19 109.80 2vae n GLY 24 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.31 3.18 0.13 1.61 5.04 -0.05 -5.06 115.29 116.83 2vae s HIS 25 Ca 0.00 0.24 -0.12 0.00 -1.54 0.00 0.00 55.06 53.64 2vae s HIS 25 Cb 0.00 -2.95 -0.06 0.00 0.04 0.00 0.00 32.58 29.61 2vae s HIS 25 CO 0.00 -0.54 0.49 -1.21 -2.34 0.00 0.00 174.74 171.14 2vae s GLU 26 N 2.44 3.87 0.20 2.88 2.02 -1.26 -1.34 118.70 127.51 2vae s GLU 26 Ca 0.20 0.33 -0.18 0.00 0.02 0.00 0.00 54.97 55.35 2vae s GLU 26 Cb -0.15 -2.92 0.03 0.00 0.10 0.00 0.00 34.13 31.18 2vae s GLU 26 CO 0.13 0.49 0.53 -0.59 0.02 0.00 0.00 175.26 175.85 2vae s PHE 27 N -1.48 -0.10 0.02 1.61 -0.12 -0.10 -4.39 117.98 113.42 2vae s PHE 27 Ca 0.37 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 57.02 2vae s PHE 27 Cb -0.14 0.40 -0.01 0.00 -0.63 0.00 0.00 43.02 42.64 2vae s PHE 27 CO 0.19 -0.94 -0.06 -1.21 -0.05 0.00 0.00 175.22 173.15 2vae s GLU 28 N -3.88 0.45 0.00 1.99 2.02 -0.16 -1.18 118.70 117.94 2vae s GLU 28 Ca 0.10 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.63 2vae s GLU 28 Cb -0.01 -0.30 -0.01 0.00 0.10 0.00 0.00 34.13 33.91 2vae s GLU 28 CO -0.02 0.07 -0.06 0.42 0.02 0.00 0.00 175.26 175.69 2vae s ILE 29 N -0.81 0.50 0.08 -1.63 1.01 -0.49 -0.91 121.20 118.95 2vae s ILE 29 Ca -0.05 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.29 2vae s ILE 29 Cb -0.06 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 2vae s ILE 29 CO 0.00 0.08 -0.15 -1.61 0.00 0.00 0.00 174.94 173.26 2vae s GLU 30 N -0.33 0.88 0.13 2.79 2.02 -0.38 -0.69 118.70 123.12 2vae s GLU 30 Ca 0.01 -1.01 -0.09 0.00 0.02 0.00 0.00 54.97 53.90 2vae s GLU 30 Cb -0.03 -0.90 0.03 0.00 0.10 0.00 0.00 34.13 33.33 2vae s GLU 30 CO -0.00 0.20 0.44 0.41 0.02 0.00 0.00 175.26 176.32 2vae n GLY 31 N 1.18 1.23 3.22 -1.39 0.00 0.28 -0.62 105.19 109.09 2vae n GLY 31 Ca -0.20 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 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 0.90 0.37 1.61 -1.05 -0.60 -1.22 118.70 116.68 2vae s GLU 32 Ca 0.09 -1.07 -0.09 0.00 -0.15 0.00 0.00 54.97 53.75 2vae s GLU 32 Cb -0.02 0.33 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 2vae s GLU 32 CO 0.04 -0.29 0.64 0.20 0.95 0.00 0.00 175.26 176.80 2vae s GLY 33 N -2.90 0.91 0.07 -3.83 0.00 0.32 -0.61 107.32 101.29 2vae s GLY 33 Ca 0.09 -1.12 -0.26 0.00 0.00 0.00 0.00 44.72 43.43 2vae s GLY 33 CO -0.07 -0.64 0.67 -1.83 0.00 0.00 0.00 173.10 171.23 2vae s GLU 34 N -2.64 1.14 0.00 2.90 -1.05 -0.46 -0.96 118.70 117.62 2vae s GLU 34 Ca 0.23 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 54.81 2vae s GLU 34 Cb -0.03 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 2vae s GLU 34 CO 0.16 -0.46 0.00 0.41 0.95 0.00 0.00 175.26 176.32 2vae n GLY 35 N 0.01 -0.75 2.90 -3.83 0.00 -0.34 -0.29 105.19 102.90 2vae n GLY 35 Ca -0.16 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 1.51 0.53 1.61 1.81 -0.20 -1.49 118.95 122.33 2vae s ARG 36 Ca 0.00 -2.05 0.26 0.00 -1.72 0.00 0.00 55.73 52.22 2vae s ARG 36 Cb 0.00 -2.93 1.51 0.00 -0.45 0.00 0.00 34.95 33.07 2vae s ARG 36 CO 0.00 -1.04 2.13 -1.35 -0.68 0.00 0.00 175.30 174.36 2vae h PRO 37 N 7.14 0.00 -0.01 3.54 0.11 -1.80 -0.78 132.00 140.22 2vae h PRO 37 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2vae h PRO 37 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2vae h PRO 37 CO 0.56 0.08 -0.31 0.66 -0.21 0.00 0.00 178.00 178.79 2vae n TYR 38 N -3.86 0.00 0.51 0.65 4.02 -1.26 -3.84 117.16 113.38 2vae n TYR 38 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.93 2vae n TYR 38 Cb 0.18 -0.16 -0.07 0.00 -0.02 0.00 0.00 39.34 39.26 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 -0.88 2.54 -2.09 -0.72 1.02 -0.42 -4.70 120.64 115.40 2vae n GLU 39 Ca 0.11 -0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 2vae n GLU 39 Cb 0.34 -1.12 -0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 1.36 0.15 3.15 0.62 0.00 -0.51 -4.70 105.19 105.25 2vae n GLY 40 Ca 0.02 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.29 1.23 0.08 2.61 -4.23 -1.20 -0.98 115.64 110.85 2vae s THR 41 Ca 0.00 -0.85 -0.26 0.00 -1.18 0.00 0.00 61.69 59.40 2vae s THR 41 Cb 0.00 -1.06 0.07 0.00 1.34 0.00 0.00 72.50 72.85 2vae s THR 41 CO 0.00 0.20 0.63 0.00 -0.54 0.00 0.00 174.62 174.91 2vae s GLN 42 N -0.75 1.19 0.31 3.99 -2.07 -0.61 -1.04 119.66 120.68 2vae s GLN 42 Ca 0.05 -0.18 0.08 0.00 -1.82 0.00 0.00 55.36 53.49 2vae s GLN 42 Cb -0.07 0.55 -0.06 0.00 -1.09 0.00 0.00 33.01 32.34 2vae s GLN 42 CO 0.00 -0.47 -0.07 0.95 -1.32 0.00 0.00 175.29 174.38 2vae s THR 43 N -2.72 1.91 -0.01 3.63 -4.23 0.60 -1.03 115.64 113.80 2vae s THR 43 Ca -0.04 -2.16 -0.13 0.00 -1.18 0.00 0.00 61.69 58.18 2vae s THR 43 Cb -0.01 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.31 2vae s THR 43 CO -0.04 -0.25 0.26 0.00 -0.54 0.00 0.00 174.62 174.05 2vae s ALA 44 N -2.83 -0.64 -0.09 3.99 0.00 -0.64 -1.35 121.76 120.20 2vae s ALA 44 Ca 0.31 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2vae s ALA 44 Cb 0.03 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.27 2vae s ALA 44 CO 0.14 -0.25 -0.07 0.21 0.00 0.00 0.00 175.76 175.79 2vae s LYS 45 N -1.42 1.28 0.05 0.00 2.20 0.22 -0.83 119.74 121.24 2vae s LYS 45 Ca -0.13 -0.19 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 2vae s LYS 45 Cb -0.06 -1.32 -0.03 0.00 -1.51 0.00 0.00 37.83 34.91 2vae s LYS 45 CO 0.03 -0.19 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.10 2vae s LEU 46 N 1.43 2.42 -0.05 5.43 2.01 0.10 -1.56 118.68 128.47 2vae s LEU 46 Ca -0.01 -0.51 0.02 0.00 0.01 0.00 0.00 54.13 53.64 2vae s LEU 46 Cb -0.13 -1.41 0.01 0.00 0.01 0.00 0.00 46.19 44.66 2vae s LEU 46 CO -0.04 0.25 -0.11 -0.54 1.01 0.00 0.00 176.35 176.92 2vae s LYS 47 N -1.43 1.33 -0.18 1.70 1.02 0.21 -1.39 119.74 121.00 2vae s LYS 47 Ca 0.14 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 2vae s LYS 47 Cb -0.10 -1.17 -0.00 0.00 -0.52 0.00 0.00 37.83 36.03 2vae s LYS 47 CO 0.04 0.07 1.13 0.08 -0.92 0.00 0.00 175.35 175.75 2vae s VAL 48 N 0.45 4.52 -0.09 3.17 1.01 -0.14 -1.25 120.40 128.07 2vae s VAL 48 Ca -0.09 1.83 0.18 0.00 0.00 0.00 0.00 61.98 63.90 2vae s VAL 48 Cb -0.13 -4.18 -0.27 0.00 0.00 0.00 0.00 36.38 31.81 2vae s VAL 48 CO 0.02 -0.13 0.41 0.35 0.00 0.00 0.00 175.10 175.75 2vae n THR 49 N 5.19 0.00 -3.76 3.92 -2.24 -0.08 -4.87 114.28 112.43 2vae n THR 49 Ca 0.12 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2vae n THR 49 Cb 0.46 0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.17 0.44 0.00 -0.78 2.20 -1.01 -4.93 119.74 112.50 2vae s LYS 50 Ca -0.05 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 2vae s LYS 50 Cb 0.11 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2vae s LYS 50 CO 0.73 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 176.05 2vae n GLY 51 N 2.57 0.61 3.91 5.54 0.00 -1.26 -0.98 105.19 115.57 2vae n GLY 51 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.99 1.52 0.46 -0.02 0.00 -1.26 -4.21 107.32 101.82 2vae s GLY 52 Ca 0.00 -0.59 -0.21 0.00 0.00 0.00 0.00 44.72 43.92 2vae s GLY 52 CO 0.00 -0.45 1.04 2.56 0.00 0.00 0.00 173.10 176.25 2vae s PRO 53 N -4.46 3.90 0.26 2.90 0.04 -1.26 -5.11 135.00 131.28 2vae s PRO 53 Ca 0.45 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 2vae s PRO 53 Cb -0.10 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2vae s PRO 53 CO 0.40 -0.35 1.19 -0.51 0.04 0.00 0.00 177.00 177.78 2vae s LEU 54 N -3.27 4.48 -0.13 -3.56 1.43 -1.26 -4.92 118.68 111.46 2vae s LEU 54 Ca 0.65 2.38 0.04 0.00 -1.03 0.00 0.00 54.13 56.16 2vae s LEU 54 Cb -0.17 -3.63 0.29 0.00 0.03 0.00 0.00 46.19 42.71 2vae s LEU 54 CO 0.22 -0.33 1.16 -0.81 0.23 0.00 0.00 176.35 176.81 2vae n PRO 55 N 1.54 2.01 -3.96 1.29 -0.04 -1.26 -4.90 135.00 129.69 2vae n PRO 55 Ca 0.01 -1.18 -0.09 0.00 -0.04 0.00 0.00 63.50 62.20 2vae n PRO 55 Cb 0.44 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.48 0.29 0.11 0.54 -0.12 -1.26 -4.68 117.98 111.38 2vae s PHE 56 Ca 0.21 -0.65 -0.31 0.00 -0.05 0.00 0.00 56.93 56.13 2vae s PHE 56 Cb 0.17 0.20 -0.09 0.00 -0.63 0.00 0.00 43.02 42.67 2vae s PHE 56 CO 0.05 -0.96 1.68 0.00 -0.05 0.00 0.00 175.22 175.94 2vae s ALA 57 N -3.99 3.74 0.38 1.99 0.00 0.02 -4.90 121.76 119.00 2vae s ALA 57 Ca 0.20 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.55 2vae s ALA 57 Cb -0.00 -3.69 0.78 0.00 0.00 0.00 0.00 23.12 20.20 2vae s ALA 57 CO 0.06 -1.04 2.00 2.35 0.00 0.00 0.00 175.76 179.13 2vae h TRP 58 N 7.93 0.67 -0.84 0.00 2.91 -1.96 -2.92 115.95 121.76 2vae h TRP 58 Ca -0.43 0.02 0.23 0.00 1.13 0.00 0.00 58.89 59.84 2vae h TRP 58 Cb 1.21 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 29.59 2vae h TRP 58 CO 0.74 0.39 0.59 -0.44 -1.03 0.00 0.00 178.44 178.69 2vae h ASP 59 N 0.69 0.08 0.90 2.65 3.32 -1.95 0.30 116.42 122.40 2vae h ASP 59 Ca 0.25 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2vae h ASP 59 Cb 0.14 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2vae h ASP 59 CO -0.07 0.03 -0.09 0.16 -1.72 0.00 0.00 179.24 177.55 2vae h ILE 60 N 0.08 0.24 0.00 0.35 3.07 -1.92 -3.06 117.51 116.27 2vae h ILE 60 Ca 0.41 -0.70 -0.23 0.00 1.55 0.00 0.00 64.86 65.88 2vae h ILE 60 Cb 1.50 1.57 -0.04 0.00 -0.27 0.00 0.00 36.82 39.57 2vae h ILE 60 CO -0.04 0.09 -1.43 -0.07 -1.05 0.00 0.00 178.15 175.65 2vae h LEU 61 N 0.00 0.00 -0.86 0.16 3.38 -0.61 -3.41 115.31 113.97 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 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 2vae h LEU 61 CO 0.01 0.86 0.50 0.77 0.09 0.00 0.00 178.44 180.68 2vae h SER 62 N 0.00 0.73 0.00 -0.43 4.64 -1.39 -0.19 113.55 116.91 2vae h SER 62 Ca -0.19 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2vae h SER 62 Cb 1.82 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 2vae h SER 62 CO 0.08 0.41 0.00 -2.65 -0.87 0.00 0.00 176.83 173.80 2vae n PRO 63 N -4.72 0.73 -0.00 4.77 -0.02 -1.26 -2.87 135.00 131.63 2vae n PRO 63 Ca 0.15 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.73 2vae n PRO 63 Cb 0.29 -1.22 -0.13 0.00 -0.02 0.00 0.00 33.50 32.42 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 -0.72 0.48 -1.73 -0.52 1.13 -0.08 -4.82 117.38 111.12 2vae n GLN 64 Ca 0.08 -0.08 -0.36 0.00 -1.94 0.00 0.00 57.00 54.69 2vae n GLN 64 Cb 0.04 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 2vae n GLN 64 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2vae n PHE 65 N -1.79 2.28 0.00 1.08 3.72 -1.14 -5.00 117.46 116.62 2vae n PHE 65 Ca 0.01 -2.68 0.00 0.00 -0.05 0.00 0.00 57.45 54.73 2vae n PHE 65 Cb 0.41 -1.89 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 2.01 0.00 0.00 4.37 2.88 -1.26 -5.07 113.62 116.55 2vae n SER 69 Ca 0.63 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.24 2vae n SER 69 Cb 0.32 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.21 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 0.95 0.19 -1.46 4.76 -1.26 -2.26 118.16 119.08 2vae n LYS 70 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 2vae n LYS 70 Cb 0.00 -1.24 0.61 0.00 -1.84 0.00 0.00 35.03 32.56 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 0.00 0.00 -0.92 -0.18 3.04 -1.97 -2.97 116.25 113.25 2vae h VAL 71 Ca 0.00 -0.25 -0.60 0.00 -1.01 0.00 0.00 66.70 64.85 2vae h VAL 71 Cb 0.00 1.02 -0.27 0.00 -2.01 0.00 0.00 31.29 30.04 2vae h VAL 71 CO 0.00 0.00 0.77 -1.22 -1.01 0.00 0.00 177.57 176.11 2vae n TYR 72 N -2.51 2.94 -3.71 3.17 4.01 -0.96 -4.76 117.16 115.34 2vae n TYR 72 Ca 0.01 -2.66 -0.37 0.00 -0.16 0.00 0.00 57.90 54.72 2vae n TYR 72 Cb 0.21 -1.29 -0.12 0.00 -0.31 0.00 0.00 39.34 37.83 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 -4.17 4.66 0.02 -0.72 1.01 -1.13 -3.98 120.40 116.09 2vae s VAL 73 Ca 0.58 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 2vae s VAL 73 Cb 0.46 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.58 2vae s VAL 73 CO 0.01 0.32 1.73 -0.75 0.00 0.00 0.00 175.10 176.41 2vae s LYS 74 N 1.60 4.18 -0.06 2.72 2.20 -0.92 -4.78 119.74 124.68 2vae s LYS 74 Ca 0.06 2.35 0.04 0.00 -0.36 0.00 0.00 55.97 58.07 2vae s LYS 74 Cb -0.15 -3.87 -0.02 0.00 -1.51 0.00 0.00 37.83 32.28 2vae s LYS 74 CO 0.06 -0.83 -0.19 -1.01 -0.36 0.00 0.00 175.35 173.02 2vae s HIS 75 N 3.58 2.59 0.80 4.03 3.76 -1.26 0.32 115.29 129.11 2vae s HIS 75 Ca 0.77 -0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 55.16 2vae s HIS 75 Cb -0.38 -1.63 0.08 0.00 1.11 0.00 0.00 32.58 31.76 2vae s HIS 75 CO 0.34 -0.01 1.11 -1.25 -0.85 0.00 0.00 174.74 174.07 2vae s PRO 76 N -0.41 1.95 0.56 8.40 0.04 -1.26 -4.91 135.00 139.36 2vae s PRO 76 Ca 0.04 1.29 0.23 0.00 0.04 0.00 0.00 61.00 62.61 2vae s PRO 76 Cb -0.12 -1.85 1.57 0.00 0.04 0.00 0.00 34.50 34.14 2vae s PRO 76 CO 0.02 -1.90 2.21 0.00 0.04 0.00 0.00 177.00 177.37 2vae h ALA 77 N -1.26 1.73 -0.09 8.56 0.00 -2.00 -2.29 119.26 123.92 2vae h ALA 77 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2vae h ALA 77 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2vae h ALA 77 CO 0.49 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 2vae n ASP 78 N -4.16 1.51 -4.18 0.00 5.75 -1.26 -4.68 116.55 109.54 2vae n ASP 78 Ca -0.03 -1.59 -0.34 0.00 -0.01 0.00 0.00 54.79 52.82 2vae n ASP 78 Cb 0.09 -0.05 -0.14 0.00 -1.03 0.00 0.00 41.12 39.98 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 -1.90 2.81 0.17 2.12 1.01 -0.86 -5.04 121.20 119.51 2vae s ILE 79 Ca 0.35 -1.17 -0.34 0.00 0.00 0.00 0.00 60.65 59.50 2vae s ILE 79 Cb 0.19 -2.49 -0.15 0.00 0.01 0.00 0.00 42.46 40.03 2vae s ILE 79 CO 0.30 0.11 1.37 -2.65 0.00 0.00 0.00 174.94 174.07 2vae n PRO 80 N 4.63 1.63 -3.17 2.79 -0.02 -1.26 -4.67 135.00 134.93 2vae n PRO 80 Ca -0.16 0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 61.47 2vae n PRO 80 Cb 0.46 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 2.49 5.99 -0.28 2.55 -0.08 -1.26 -4.38 116.55 121.58 2vae n ASP 81 Ca 0.15 -3.24 0.03 0.00 -1.51 0.00 0.00 54.79 50.22 2vae n ASP 81 Cb 0.26 -1.32 0.10 0.00 2.34 0.00 0.00 41.12 42.51 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 5.99 -0.42 -0.61 -0.67 3.20 -1.90 -0.01 116.97 122.55 2vae h TYR 82 Ca 0.19 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 2vae h TYR 82 Cb 0.73 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 2vae h TYR 82 CO 0.89 -0.35 0.19 0.87 -1.64 0.00 0.00 178.16 178.13 2vae h LYS 83 N 0.00 0.94 -0.48 1.82 1.57 -1.91 -2.04 116.57 116.47 2vae h LYS 83 Ca 0.39 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 2vae h LYS 83 Cb 0.60 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2vae h LYS 83 CO -0.83 0.83 -0.22 0.87 -0.57 0.00 0.00 179.45 179.54 2vae h LYS 84 N 0.86 0.98 0.00 3.15 1.57 -1.47 -2.92 116.57 118.75 2vae h LYS 84 Ca 0.20 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2vae h LYS 84 Cb 0.28 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2vae h LYS 84 CO -0.01 1.09 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.85 2vae h LEU 85 N 0.84 0.00 -1.49 2.94 3.38 -0.79 -2.49 115.31 117.71 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 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2vae h LEU 85 CO 0.07 0.04 0.00 0.77 0.09 0.00 0.00 178.44 179.40 2vae h SER 86 N 0.00 0.00 -4.17 -0.43 4.64 -1.17 -3.44 113.55 108.99 2vae h SER 86 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 2vae h SER 86 Cb 0.08 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2vae h SER 86 CO 0.00 0.00 0.35 -0.36 -0.87 0.00 0.00 176.83 175.96 2vae s PHE 87 N -3.65 3.49 0.08 4.77 0.40 -0.94 -0.10 117.98 122.03 2vae s PHE 87 Ca 0.01 1.39 0.28 0.00 -0.60 0.00 0.00 56.93 58.01 2vae s PHE 87 Cb 0.09 -2.74 1.07 0.00 0.51 0.00 0.00 43.02 41.96 2vae s PHE 87 CO 0.49 -0.40 1.88 -1.00 0.70 0.00 0.00 175.22 176.88 2vae h PRO 88 N 0.72 0.00 -0.41 0.24 0.13 -1.89 -3.45 132.00 127.34 2vae h PRO 88 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2vae h PRO 88 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2vae h PRO 88 CO 0.62 0.11 -0.02 1.49 -0.23 0.00 0.00 178.00 179.97 2vae h GLU 89 N 0.00 0.74 0.00 0.86 4.81 -1.90 -3.36 114.58 115.73 2vae h GLU 89 Ca -0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2vae h GLU 89 Cb 0.67 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2vae h GLU 89 CO 0.01 0.83 0.00 0.41 -0.73 0.00 0.00 179.01 179.53 2vae n GLY 90 N -0.33 -1.22 3.48 1.92 0.00 0.86 -4.60 105.19 105.29 2vae n GLY 90 Ca -0.01 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 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 0.20 1.61 -0.71 -0.81 -1.58 117.98 116.80 2vae s PHE 91 Ca 0.00 -0.47 0.09 0.00 -1.04 0.00 0.00 56.93 55.51 2vae s PHE 91 Cb 0.00 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 2vae s PHE 91 CO 0.00 -0.87 -0.05 0.15 -1.34 0.00 0.00 175.22 173.11 2vae s LYS 92 N -3.92 2.20 0.03 1.99 1.02 0.15 -0.62 119.74 120.59 2vae s LYS 92 Ca 0.13 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.88 2vae s LYS 92 Cb 0.00 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 2vae s LYS 92 CO -0.00 0.42 -0.06 1.67 -0.92 0.00 0.00 175.35 176.46 2vae s TRP 93 N -1.85 0.51 0.13 3.18 1.48 -0.64 0.13 118.94 121.87 2vae s TRP 93 Ca 0.27 -0.49 0.04 0.00 -1.06 0.00 0.00 56.10 54.86 2vae s TRP 93 Cb -0.08 -0.32 -0.04 0.00 -1.16 0.00 0.00 33.47 31.87 2vae s TRP 93 CO 0.17 -0.12 -0.10 -1.21 -4.06 0.00 0.00 176.95 171.63 2vae s GLU 94 N -1.47 1.01 -0.08 3.25 2.02 0.01 -0.57 118.70 122.87 2vae s GLU 94 Ca -0.12 -1.38 -0.22 0.00 0.02 0.00 0.00 54.97 53.27 2vae s GLU 94 Cb -0.10 -0.60 0.05 0.00 0.10 0.00 0.00 34.13 33.58 2vae s GLU 94 CO -0.00 0.08 0.51 0.50 0.02 0.00 0.00 175.26 176.36 2vae s ARG 95 N -3.54 0.79 -0.12 1.61 3.52 -0.59 -0.69 118.95 119.94 2vae s ARG 95 Ca 0.14 0.25 0.01 0.00 -0.13 0.00 0.00 55.73 56.00 2vae s ARG 95 Cb 0.01 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.76 2vae s ARG 95 CO 0.00 -0.20 -0.14 0.08 -0.81 0.00 0.00 175.30 174.23 2vae s VAL 96 N -0.78 2.96 -0.19 7.11 1.01 -0.00 -1.35 120.40 129.16 2vae s VAL 96 Ca -0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 2vae s VAL 96 Cb -0.03 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2vae s VAL 96 CO 0.05 0.53 -0.09 -0.04 0.00 0.00 0.00 175.10 175.56 2vae s MET 97 N 0.26 3.34 -0.35 2.72 -1.94 -0.13 -0.96 119.30 122.23 2vae s MET 97 Ca -0.10 -0.67 -0.06 0.00 -1.71 0.00 0.00 55.69 53.15 2vae s MET 97 Cb -0.16 -2.84 0.05 0.00 2.01 0.00 0.00 34.83 33.89 2vae s MET 97 CO 0.06 -0.07 0.13 -0.80 -0.01 0.00 0.00 175.02 174.33 2vae s ASN 98 N 1.09 5.34 0.23 3.03 0.01 -0.22 -1.37 114.94 123.06 2vae s ASN 98 Ca 0.01 -1.24 -0.17 0.00 -0.71 0.00 0.00 52.86 50.75 2vae s ASN 98 Cb -0.15 -1.88 -0.08 0.00 0.41 0.00 0.00 41.25 39.56 2vae s ASN 98 CO -0.02 -0.36 0.69 -0.36 -1.51 0.00 0.00 177.10 175.54 2vae s PHE 99 N 1.39 3.57 0.47 2.20 0.40 -0.37 -1.12 117.98 124.52 2vae s PHE 99 Ca -0.01 1.27 0.33 0.00 -0.60 0.00 0.00 56.93 57.93 2vae s PHE 99 Cb -0.20 -2.54 1.77 0.00 0.51 0.00 0.00 43.02 42.55 2vae s PHE 99 CO 0.02 0.29 2.17 1.05 0.70 0.00 0.00 175.22 179.46 2vae h GLU 100 N 3.13 0.00 -0.59 0.44 4.11 -1.51 -1.66 114.58 118.49 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 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2vae h GLU 100 CO 0.65 0.05 0.00 -0.40 0.07 0.00 0.00 179.01 179.39 2vae n ASP 101 N -3.46 3.33 0.00 3.06 5.75 -1.26 -4.94 116.55 119.02 2vae n ASP 101 Ca -0.02 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 2vae n ASP 101 Cb 0.17 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 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 1.29 0.94 3.72 6.12 0.00 -0.62 -4.63 105.19 112.02 2vae n GLY 102 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.36 0.71 2.88 -0.02 0.00 -1.15 -4.72 105.19 101.53 2vae n GLY 103 Ca 0.00 0.18 -0.15 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 0.20 -0.02 1.61 1.01 -0.20 -1.23 120.40 120.57 2vae s VAL 104 Ca 0.62 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.60 2vae s VAL 104 Cb -0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 2vae s VAL 104 CO 0.57 0.09 -0.16 -0.69 0.00 0.00 0.00 175.10 174.91 2vae s VAL 105 N 0.34 1.29 0.09 2.92 1.01 -0.47 -0.92 120.40 124.66 2vae s VAL 105 Ca -0.03 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.35 2vae s VAL 105 Cb -0.06 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2vae s VAL 105 CO -0.01 0.37 -0.19 0.42 0.00 0.00 0.00 175.10 175.69 2vae s THR 106 N -0.32 2.75 0.01 3.92 -4.23 -0.62 -0.96 115.64 116.19 2vae s THR 106 Ca 0.05 -1.42 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2vae s THR 106 Cb -0.07 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2vae s THR 106 CO -0.00 0.18 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.51 2vae s VAL 107 N -1.06 0.41 -0.01 2.29 1.01 -0.46 -1.43 120.40 121.15 2vae s VAL 107 Ca 0.16 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2vae s VAL 107 Cb -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2vae s VAL 107 CO 0.08 -0.06 -0.04 0.28 0.00 0.00 0.00 175.10 175.36 2vae s THR 108 N -0.54 0.33 -0.01 3.92 -1.32 -0.41 -1.54 115.64 116.07 2vae s THR 108 Ca -0.02 -0.13 -0.03 0.00 -1.21 0.00 0.00 61.69 60.29 2vae s THR 108 Cb -0.05 -0.31 -0.00 0.00 -1.51 0.00 0.00 72.50 70.63 2vae s THR 108 CO -0.00 0.12 0.06 -1.58 -2.21 0.00 0.00 174.62 171.01 2vae s GLN 109 N 0.18 0.23 -0.06 7.08 -0.44 0.26 -0.81 119.66 126.10 2vae s GLN 109 Ca -0.02 -0.18 0.06 0.00 -2.50 0.00 0.00 55.36 52.72 2vae s GLN 109 Cb -0.05 0.09 -0.01 0.00 -1.64 0.00 0.00 33.01 31.41 2vae s GLN 109 CO -0.00 -0.04 -0.24 0.34 0.50 0.00 0.00 175.29 175.84 2vae s ASP 110 N -0.64 3.01 -0.14 6.67 -1.08 0.02 -1.62 116.67 122.90 2vae s ASP 110 Ca -0.07 -0.51 0.02 0.00 -0.52 0.00 0.00 52.55 51.47 2vae s ASP 110 Cb -0.04 -0.93 0.01 0.00 -1.46 0.00 0.00 42.92 40.50 2vae s ASP 110 CO 0.00 0.22 -0.20 -0.44 0.52 0.00 0.00 175.17 175.28 2vae s SER 111 N -0.05 2.92 0.09 -0.34 0.01 0.20 -1.40 113.70 115.13 2vae s SER 111 Ca -0.07 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.66 2vae s SER 111 Cb -0.14 -1.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 2vae s SER 111 CO 0.05 0.05 0.07 -1.54 0.41 0.00 0.00 173.24 172.27 2vae n SER 112 N 4.19 0.08 -3.89 2.44 3.41 -0.14 -1.92 113.62 117.79 2vae n SER 112 Ca -0.20 -1.59 -0.19 0.00 -0.26 0.00 0.00 58.87 56.63 2vae n SER 112 Cb 0.51 0.41 -0.16 0.00 -0.26 0.00 0.00 64.21 64.71 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 1.34 -0.17 1.04 2.96 -1.26 -0.36 118.68 122.23 2vae s LEU 113 Ca 0.10 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.77 2vae s LEU 113 Cb 0.00 -0.41 0.05 0.00 0.50 0.00 0.00 46.19 46.34 2vae s LEU 113 CO 0.07 -0.05 0.43 -1.58 -1.32 0.00 0.00 176.35 173.90 2vae s GLN 114 N 0.87 0.46 -1.81 1.98 0.74 0.22 -4.91 119.66 117.21 2vae s GLN 114 Ca -0.11 0.72 0.00 0.00 0.05 0.00 0.00 55.36 56.01 2vae s GLN 114 Cb -0.14 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.08 2vae s GLN 114 CO 0.00 -0.11 0.00 -0.25 -0.55 0.00 0.00 175.29 174.38 2vae n ASP 115 N 3.59 -5.94 -0.30 6.67 8.00 -1.26 -1.22 116.55 126.09 2vae n ASP 115 Ca -0.18 -0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.27 2vae n ASP 115 Cb 0.56 -4.95 -0.02 0.00 -0.02 0.00 0.00 41.12 36.69 2vae n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vae n GLY 116 N -1.00 0.58 3.38 0.44 0.00 -1.26 -5.00 105.19 102.32 2vae n GLY 116 Ca -0.25 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.69 2.97 -0.15 0.00 0.08 -0.28 -0.61 117.98 119.31 2vae s PHE 118 Ca 0.11 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.71 2vae s PHE 118 Cb -0.10 -3.39 0.02 0.00 -0.57 0.00 0.00 43.02 38.98 2vae s PHE 118 CO 0.00 -1.41 -0.15 0.42 -0.10 0.00 0.00 175.22 173.98 2vae s ILE 119 N -1.48 1.60 -0.12 0.64 -1.09 0.52 -1.11 121.20 120.15 2vae s ILE 119 Ca 0.60 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 2vae s ILE 119 Cb -0.30 -1.50 -0.01 0.00 -1.58 0.00 0.00 42.46 39.08 2vae s ILE 119 CO 0.37 0.46 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.08 2vae s TYR 120 N 1.43 2.76 -0.15 3.97 2.02 0.15 -0.97 117.35 126.57 2vae s TYR 120 Ca 0.04 -0.74 0.01 0.00 -0.37 0.00 0.00 57.07 56.01 2vae s TYR 120 Cb -0.13 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2vae s TYR 120 CO -0.10 -0.26 -0.16 0.15 -1.57 0.00 0.00 175.55 173.61 2vae s LYS 121 N 0.36 2.46 -0.05 -0.62 1.02 -0.49 -1.58 119.74 120.84 2vae s LYS 121 Ca -0.12 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.28 2vae s LYS 121 Cb -0.16 -2.18 -0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2vae s LYS 121 CO 0.06 -0.19 -0.18 0.08 -0.92 0.00 0.00 175.35 174.21 2vae s VAL 122 N 1.33 1.50 0.00 3.17 1.01 -0.01 -0.80 120.40 126.60 2vae s VAL 122 Ca 0.02 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2vae s VAL 122 Cb -0.13 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2vae s VAL 122 CO -0.09 0.43 -0.24 -0.54 0.00 0.00 0.00 175.10 174.66 2vae s LYS 123 N 0.15 1.87 -0.07 2.72 1.02 0.01 -1.25 119.74 124.19 2vae s LYS 123 Ca -0.07 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 54.96 2vae s LYS 123 Cb -0.13 -1.88 0.04 0.00 -0.52 0.00 0.00 37.83 35.34 2vae s LYS 123 CO 0.03 0.51 0.13 0.12 -0.92 0.00 0.00 175.35 175.22 2vae s PHE 124 N -0.65 -0.14 -0.13 3.18 2.19 -0.78 -1.29 117.98 120.37 2vae s PHE 124 Ca 0.10 0.49 0.00 0.00 0.33 0.00 0.00 56.93 57.84 2vae s PHE 124 Cb -0.09 -0.20 0.02 0.00 -1.31 0.00 0.00 43.02 41.44 2vae s PHE 124 CO 0.00 -0.20 -0.12 0.42 1.83 0.00 0.00 175.22 177.15 2vae s ILE 125 N 1.69 1.33 -0.09 3.12 1.01 -0.52 -1.20 121.20 126.54 2vae s ILE 125 Ca -0.03 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.16 2vae s ILE 125 Cb -0.12 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 2vae s ILE 125 CO -0.05 0.42 -0.20 -0.83 0.00 0.00 0.00 174.94 174.27 2vae s GLY 126 N 1.51 1.40 0.09 6.18 0.00 0.09 -1.59 107.32 115.00 2vae s GLY 126 Ca 0.03 -0.97 -0.00 0.00 0.00 0.00 0.00 44.72 43.78 2vae s GLY 126 CO -0.08 -0.41 -0.01 -1.34 0.00 0.00 0.00 173.10 171.25 2vae s VAL 127 N 0.12 0.28 -0.94 1.40 -7.23 -0.09 -1.10 120.40 112.84 2vae s VAL 127 Ca -0.10 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2vae s VAL 127 Cb -0.16 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.06 2vae s VAL 127 CO 0.06 -0.80 0.00 -3.20 -0.31 0.00 0.00 175.10 170.85 2vae n ASN 128 N 0.01 -3.85 -4.70 4.85 5.15 -1.26 -1.03 115.26 114.44 2vae n ASN 128 Ca -0.11 0.15 -0.42 0.00 -0.60 0.00 0.00 54.58 53.60 2vae n ASN 128 Cb 0.62 -2.49 -0.03 0.00 -0.53 0.00 0.00 39.78 37.35 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 -2.39 3.51 0.37 1.20 0.08 -1.26 -2.96 117.98 116.53 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 -0.11 0.00 -0.57 0.00 0.00 43.02 39.12 2vae s PHE 129 CO 0.00 -0.37 1.37 -2.30 -0.10 0.00 0.00 175.22 173.82 2vae n PRO 130 N 4.62 2.31 0.22 0.24 -0.02 -1.26 -4.88 135.00 136.23 2vae n PRO 130 Ca 0.08 0.81 0.05 0.00 -2.02 0.00 0.00 63.50 62.43 2vae n PRO 130 Cb 0.49 -2.47 0.48 0.00 -0.02 0.00 0.00 33.50 31.98 2vae n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2vae h SER 131 N 2.62 0.00 -0.68 2.55 4.64 -1.99 -1.95 113.55 118.75 2vae h SER 131 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2vae h SER 131 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2vae h SER 131 CO 0.63 0.23 0.00 -0.90 -0.87 0.00 0.00 176.83 175.92 2vae n ASP 132 N -4.19 4.46 -4.63 4.97 3.85 -1.26 -4.42 116.55 115.33 2vae n ASP 132 Ca -0.02 -2.29 -0.26 0.00 -0.71 0.00 0.00 54.79 51.50 2vae n ASP 132 Cb 0.29 -0.55 0.11 0.00 -1.35 0.00 0.00 41.12 39.62 2vae n ASP 132 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2vae s GLY 133 N -0.92 1.73 0.49 6.12 0.00 -0.73 -4.84 107.32 109.17 2vae s GLY 133 Ca 0.50 -1.21 0.23 0.00 0.00 0.00 0.00 44.72 44.25 2vae s GLY 133 CO 0.28 -0.65 2.03 -0.56 0.00 0.00 0.00 173.10 174.19 2vae h PRO 134 N -0.89 0.00 0.16 2.90 0.13 -1.94 -0.69 132.00 131.67 2vae h PRO 134 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2vae h PRO 134 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2vae h PRO 134 CO 0.49 0.16 -0.08 0.28 -0.23 0.00 0.00 178.00 178.62 2vae h VAL 135 N 0.00 0.86 0.00 1.56 2.07 -1.94 0.32 116.25 119.12 2vae h VAL 135 Ca -0.00 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 2vae h VAL 135 Cb 0.37 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2vae h VAL 135 CO 0.02 0.22 -0.17 0.24 0.02 0.00 0.00 177.57 177.90 2vae h MET 136 N -0.85 0.00 -0.41 1.57 2.86 -1.76 0.15 114.93 116.49 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 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2vae h MET 136 CO 0.04 0.17 0.00 1.04 1.06 0.00 0.00 176.91 179.22 2vae n GLN 137 N -3.37 2.51 -3.57 1.72 1.13 -0.27 -4.59 117.38 110.93 2vae n GLN 137 Ca -0.00 -2.31 -0.21 0.00 -1.94 0.00 0.00 57.00 52.55 2vae n GLN 137 Cb 0.38 -1.51 0.05 0.00 0.11 0.00 0.00 30.24 29.27 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 1.48 -4.48 -0.42 -1.09 5.02 -0.65 -4.91 118.16 113.11 2vae n LYS 138 Ca 0.19 0.69 0.11 0.00 -2.02 0.00 0.00 58.31 57.29 2vae n LYS 138 Cb 0.60 -5.31 0.33 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 -4.07 2.92 -3.86 1.97 4.76 0.01 -5.00 118.16 114.88 2vae n LYS 139 Ca -0.24 -2.71 -0.24 0.00 -2.87 0.00 0.00 58.31 52.24 2vae n LYS 139 Cb 0.66 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.15 5.26 -0.34 -0.18 -4.23 -1.26 -0.71 115.64 113.02 2vae s THR 140 Ca 0.50 -0.71 0.15 0.00 -1.18 0.00 0.00 61.69 60.45 2vae s THR 140 Cb 0.27 -3.79 0.42 0.00 1.34 0.00 0.00 72.50 70.74 2vae s THR 140 CO 0.32 -0.23 0.94 1.15 -0.54 0.00 0.00 174.62 176.27 2vae n MET 141 N -0.96 1.10 0.00 3.99 0.00 0.12 -4.73 117.12 116.65 2vae n MET 141 Ca -0.07 -3.11 0.00 0.00 0.00 0.00 0.00 57.70 54.52 2vae n MET 141 Cb 0.55 -1.23 0.00 0.00 0.00 0.00 0.00 33.22 32.54 2vae n MET 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2vae n GLY 142 N -0.02 2.04 3.85 3.17 0.00 -1.26 -4.64 105.19 108.32 2vae n GLY 142 Ca 0.11 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.75 3.38 0.70 1.61 0.52 -1.26 -0.69 118.94 120.45 2vae s TRP 143 Ca 0.00 1.24 -0.14 0.00 0.02 0.00 0.00 56.10 57.22 2vae s TRP 143 Cb 0.00 -2.55 0.02 0.00 -1.15 0.00 0.00 33.47 29.79 2vae s TRP 143 CO 0.00 0.09 1.11 -1.21 0.02 0.00 0.00 176.95 176.96 2vae s GLU 144 N -2.97 2.56 0.80 4.98 0.41 -0.41 -4.86 118.70 119.22 2vae s GLU 144 Ca 0.54 1.37 -0.13 0.00 -0.41 0.00 0.00 54.97 56.34 2vae s GLU 144 Cb -0.10 -1.92 0.08 0.00 -1.78 0.00 0.00 34.13 30.40 2vae s GLU 144 CO 0.17 -1.43 1.18 -1.25 -0.49 0.00 0.00 175.26 173.44 2vae s PRO 145 N -4.29 1.74 0.16 0.39 0.04 -1.26 -4.78 135.00 127.00 2vae s PRO 145 Ca 0.66 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 2vae s PRO 145 Cb -0.20 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2vae s PRO 145 CO 0.46 -2.12 0.10 -1.54 0.04 0.00 0.00 177.00 173.94 2vae s SER 146 N -2.33 0.23 -0.13 6.66 1.04 -0.19 -4.95 113.70 114.02 2vae s SER 146 Ca 0.71 -1.29 -0.03 0.00 0.48 0.00 0.00 55.95 55.83 2vae s SER 146 Cb -0.26 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.24 2vae s SER 146 CO 0.51 -0.79 0.03 -0.89 0.98 0.00 0.00 173.24 173.08 2vae s THR 147 N -4.10 0.31 0.03 2.02 2.01 -1.26 -1.35 115.64 113.29 2vae s THR 147 Ca 0.31 -0.13 -0.18 0.00 0.31 0.00 0.00 61.69 61.99 2vae s THR 147 Cb 0.07 -0.68 -0.06 0.00 0.01 0.00 0.00 72.50 71.84 2vae s THR 147 CO 0.07 0.00 0.53 -0.70 -0.69 0.00 0.00 174.62 173.83 2vae s GLU 148 N 1.98 4.17 -0.29 4.92 2.12 0.33 -4.53 118.70 127.40 2vae s GLU 148 Ca 0.02 0.64 -0.10 0.00 0.36 0.00 0.00 54.97 55.90 2vae s GLU 148 Cb -0.15 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 2vae s GLU 148 CO -0.07 0.56 0.16 0.50 -0.54 0.00 0.00 175.26 175.88 2vae s ARG 149 N -0.80 3.58 0.21 4.30 3.00 0.08 -1.37 118.95 127.95 2vae s ARG 149 Ca 0.28 -0.56 0.10 0.00 -1.00 0.00 0.00 55.73 54.55 2vae s ARG 149 Cb -0.18 -3.58 -0.04 0.00 0.00 0.00 0.00 34.95 31.15 2vae s ARG 149 CO 0.17 -0.31 -0.11 -0.51 0.00 0.00 0.00 175.30 174.53 2vae s LEU 150 N 1.67 2.89 0.01 -0.88 1.02 0.10 -1.15 118.68 122.33 2vae s LEU 150 Ca 0.06 -0.69 -0.28 0.00 0.02 0.00 0.00 54.13 53.24 2vae s LEU 150 Cb -0.16 -1.52 0.09 0.00 0.02 0.00 0.00 46.19 44.61 2vae s LEU 150 CO 0.08 0.08 0.76 -0.72 0.02 0.00 0.00 176.35 176.56 2vae s TYR 151 N -1.92 -0.49 0.31 0.29 1.13 -0.52 -1.44 117.35 114.70 2vae s TYR 151 Ca 0.26 0.54 -0.23 0.00 -1.41 0.00 0.00 57.07 56.24 2vae s TYR 151 Cb -0.08 0.50 -0.09 0.00 -1.10 0.00 0.00 41.96 41.19 2vae s TYR 151 CO 0.15 -0.63 0.86 -1.25 -2.51 0.00 0.00 175.55 172.17 2vae s PRO 152 N -2.55 4.39 -0.28 -3.49 0.04 -1.26 -1.26 135.00 130.59 2vae s PRO 152 Ca -0.01 1.11 -0.22 0.00 0.04 0.00 0.00 61.00 61.91 2vae s PRO 152 Cb -0.01 -2.71 0.09 0.00 0.04 0.00 0.00 34.50 31.92 2vae s PRO 152 CO -0.04 0.26 0.83 0.50 0.04 0.00 0.00 177.00 178.59 2vae s ARG 153 N -2.26 0.67 -1.68 4.56 3.52 -0.23 -4.93 118.95 118.59 2vae s ARG 153 Ca 0.50 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.99 2vae s ARG 153 Cb -0.16 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2vae s ARG 153 CO 0.21 -0.10 0.00 -3.47 -0.81 0.00 0.00 175.30 171.13 2vae n ASP 154 N 2.97 -5.30 -0.17 -2.12 2.03 -1.26 -1.25 116.55 111.45 2vae n ASP 154 Ca -0.15 0.12 -0.02 0.00 0.52 0.00 0.00 54.79 55.26 2vae n ASP 154 Cb 0.56 -4.38 -0.01 0.00 -0.72 0.00 0.00 41.12 36.58 2vae n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vae n GLY 155 N -0.93 0.50 3.48 0.27 0.00 -1.26 -5.00 105.19 102.26 2vae n GLY 155 Ca -0.21 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 2vae n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vae s VAL 156 N -1.81 0.50 -0.13 1.61 -7.23 -0.38 -4.94 120.40 108.02 2vae s VAL 156 Ca 0.00 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2vae s VAL 156 Cb 0.00 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 2vae s VAL 156 CO 0.00 0.00 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.51 2vae s LEU 157 N -3.58 3.17 0.17 1.32 2.96 -0.91 -1.07 118.68 120.75 2vae s LEU 157 Ca 0.26 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 54.13 2vae s LEU 157 Cb 0.02 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2vae s LEU 157 CO 0.16 0.22 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.68 2vae s LYS 158 N 0.08 1.31 -0.01 1.98 1.02 -0.39 -0.53 119.74 123.20 2vae s LYS 158 Ca -0.01 -1.42 -0.21 0.00 0.02 0.00 0.00 55.97 54.35 2vae s LYS 158 Cb -0.14 -1.41 0.04 0.00 -0.52 0.00 0.00 37.83 35.81 2vae s LYS 158 CO 0.03 0.29 0.45 0.20 -0.92 0.00 0.00 175.35 175.40 2vae s GLY 159 N -2.66 -0.31 0.10 -3.33 0.00 -0.55 -1.44 107.32 99.14 2vae s GLY 159 Ca 0.16 0.62 0.04 0.00 0.00 0.00 0.00 44.72 45.55 2vae s GLY 159 CO 0.07 0.36 -0.11 -0.54 0.00 0.00 0.00 173.10 172.88 2vae s GLU 160 N -1.56 0.89 -0.09 2.90 8.01 -0.30 -0.34 118.70 128.20 2vae s GLU 160 Ca -0.11 -1.19 -0.07 0.00 0.01 0.00 0.00 54.97 53.62 2vae s GLU 160 Cb -0.03 -0.60 0.03 0.00 -4.31 0.00 0.00 34.13 29.23 2vae s GLU 160 CO 0.04 0.10 0.22 0.42 0.01 0.00 0.00 175.26 176.05 2vae s ILE 161 N -2.44 -0.01 -0.57 -1.63 1.01 -0.32 -0.74 121.20 116.50 2vae s ILE 161 Ca 0.07 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 2vae s ILE 161 Cb -0.03 -0.33 0.09 0.00 0.01 0.00 0.00 42.46 42.20 2vae s ILE 161 CO 0.01 0.02 0.69 -1.00 0.00 0.00 0.00 174.94 174.66 2vae s HIS 162 N 0.51 3.00 0.39 3.97 3.76 -1.26 -0.83 115.29 124.83 2vae s HIS 162 Ca -0.03 -0.80 0.08 0.00 -0.15 0.00 0.00 55.06 54.15 2vae s HIS 162 Cb -0.05 -3.87 -0.01 0.00 1.11 0.00 0.00 32.58 29.77 2vae s HIS 162 CO -0.03 -1.22 0.43 0.15 -0.85 0.00 0.00 174.74 173.22 2vae s LYS 163 N 2.72 2.75 -0.16 1.40 1.02 0.23 -4.78 119.74 122.92 2vae s LYS 163 Ca 0.13 -1.32 -0.12 0.00 0.02 0.00 0.00 55.97 54.68 2vae s LYS 163 Cb -0.22 -2.57 0.05 0.00 -0.52 0.00 0.00 37.83 34.56 2vae s LYS 163 CO 0.08 -0.11 0.41 0.00 -0.92 0.00 0.00 175.35 174.81 2vae s ALA 164 N -2.36 -1.02 -0.10 5.17 0.00 -1.26 -1.77 121.76 120.42 2vae s ALA 164 Ca 0.48 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.61 2vae s ALA 164 Cb -0.07 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 2vae s ALA 164 CO 0.29 -0.23 0.39 -0.51 0.00 0.00 0.00 175.76 175.71 2vae s LEU 165 N 0.77 4.32 0.21 0.00 1.43 0.18 -1.29 118.68 124.30 2vae s LEU 165 Ca -0.04 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.51 2vae s LEU 165 Cb -0.05 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.53 2vae s LEU 165 CO -0.06 0.12 1.08 -0.54 0.23 0.00 0.00 176.35 177.19 2vae s LYS 166 N 0.10 4.64 0.01 1.70 1.02 0.13 -0.57 119.74 126.77 2vae s LYS 166 Ca 0.22 1.71 -0.14 0.00 0.02 0.00 0.00 55.97 57.78 2vae s LYS 166 Cb -0.15 -3.26 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 2vae s LYS 166 CO 0.09 0.16 0.41 -0.51 -0.92 0.00 0.00 175.35 174.59 2vae s LEU 167 N -0.74 4.47 0.28 3.17 1.43 -0.70 0.15 118.68 126.74 2vae s LEU 167 Ca 0.47 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 2vae s LEU 167 Cb -0.30 -2.64 0.59 0.00 0.03 0.00 0.00 46.19 43.87 2vae s LEU 167 CO 0.36 0.31 1.79 0.11 0.23 0.00 0.00 176.35 179.15 2vae h LYS 168 N 4.60 0.74 -0.74 1.70 1.57 -1.21 -0.36 116.57 122.88 2vae h LYS 168 Ca -0.51 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.06 2vae h LYS 168 Cb 1.22 -0.17 -0.10 0.00 0.08 0.00 0.00 32.23 33.26 2vae h LYS 168 CO 0.62 0.49 0.21 -0.25 -0.57 0.00 0.00 179.45 179.94 2vae n ASP 169 N -4.78 4.91 0.00 0.86 8.00 -1.26 -5.02 116.55 119.27 2vae n ASP 169 Ca 0.19 -3.10 0.00 0.00 0.71 0.00 0.00 54.79 52.59 2vae n ASP 169 Cb 0.44 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 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 0.04 1.39 0.41 0.44 0.00 -0.15 -5.13 105.19 102.20 2vae n GLY 170 Ca 0.37 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 1.37 -3.36 3.22 -0.02 0.00 -1.26 -4.55 105.19 100.58 2vae n GLY 171 Ca 0.00 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.83 1.34 -0.20 1.61 3.76 -1.26 -1.72 115.29 117.98 2vae s HIS 172 Ca 0.00 -0.52 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 2vae s HIS 172 Cb 0.00 -0.72 0.04 0.00 1.11 0.00 0.00 32.58 33.01 2vae s HIS 172 CO 0.00 0.11 -0.14 -0.47 -0.85 0.00 0.00 174.74 173.38 2vae s TYR 173 N -1.80 2.72 0.08 1.40 5.04 0.26 -4.92 117.35 120.13 2vae s TYR 173 Ca 0.05 -1.74 -0.18 0.00 -2.44 0.00 0.00 57.07 52.75 2vae s TYR 173 Cb -0.07 -1.80 -0.07 0.00 0.35 0.00 0.00 41.96 40.37 2vae s TYR 173 CO 0.03 -0.79 0.55 -0.51 -1.34 0.00 0.00 175.55 173.48 2vae s LEU 174 N 1.30 4.49 -0.04 6.97 1.43 -1.26 -0.65 118.68 130.92 2vae s LEU 174 Ca -0.00 1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2vae s LEU 174 Cb -0.16 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 43.17 2vae s LEU 174 CO -0.09 0.25 0.07 -0.69 0.23 0.00 0.00 176.35 176.11 2vae s VAL 175 N -1.17 -0.06 -0.19 -1.59 1.01 -0.73 -1.31 120.40 116.35 2vae s VAL 175 Ca 0.30 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 2vae s VAL 175 Cb -0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 2vae s VAL 175 CO 0.18 0.09 0.22 -0.70 0.00 0.00 0.00 175.10 174.90 2vae s GLU 176 N 1.16 4.19 -0.12 2.72 2.12 -0.27 -0.60 118.70 127.90 2vae s GLU 176 Ca -0.08 -0.07 -0.05 0.00 0.36 0.00 0.00 54.97 55.13 2vae s GLU 176 Cb -0.13 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2vae s GLU 176 CO -0.04 0.19 0.06 -0.06 -0.54 0.00 0.00 175.26 174.88 2vae s PHE 177 N 0.65 3.33 -0.12 5.30 0.40 -0.01 -1.06 117.98 126.47 2vae s PHE 177 Ca 0.12 0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.74 2vae s PHE 177 Cb -0.13 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.51 2vae s PHE 177 CO 0.02 0.49 -0.13 0.15 0.70 0.00 0.00 175.22 176.45 2vae s LYS 178 N -0.63 2.02 0.13 0.44 1.02 -0.14 -1.17 119.74 121.41 2vae s LYS 178 Ca 0.11 -0.47 0.09 0.00 0.02 0.00 0.00 55.97 55.73 2vae s LYS 178 Cb -0.12 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 2vae s LYS 178 CO 0.02 -0.16 -0.22 -1.12 -0.92 0.00 0.00 175.35 172.96 2vae s SER 179 N 1.28 2.81 -0.06 2.83 0.01 0.54 -0.82 113.70 120.29 2vae s SER 179 Ca -0.01 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.50 2vae s SER 179 Cb -0.14 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 65.94 2vae s SER 179 CO -0.05 0.07 -0.07 -0.63 0.41 0.00 0.00 173.24 172.96 2vae s ILE 180 N -1.39 0.77 -0.17 1.44 1.09 0.14 -1.48 121.20 121.60 2vae s ILE 180 Ca 0.11 -0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 2vae s ILE 180 Cb -0.09 -0.76 0.01 0.00 -1.06 0.00 0.00 42.46 40.56 2vae s ILE 180 CO 0.06 0.28 -0.16 -0.31 -0.10 0.00 0.00 174.94 174.71 2vae s TYR 181 N 0.93 2.79 -0.36 3.97 2.02 0.31 -0.80 117.35 126.21 2vae s TYR 181 Ca -0.10 -1.25 0.02 0.00 -0.37 0.00 0.00 57.07 55.37 2vae s TYR 181 Cb -0.15 -1.92 0.11 0.00 -0.40 0.00 0.00 41.96 39.61 2vae s TYR 181 CO 0.01 -0.60 0.12 -1.64 -1.57 0.00 0.00 175.55 171.86 2vae s MET 182 N 1.04 1.21 0.63 -0.62 -1.94 0.12 -2.13 119.30 117.61 2vae s MET 182 Ca -0.01 -1.67 -0.18 0.00 -1.71 0.00 0.00 55.69 52.11 2vae s MET 182 Cb -0.15 -2.62 -0.02 0.00 2.01 0.00 0.00 34.83 34.06 2vae s MET 182 CO -0.05 -1.01 1.26 0.00 -0.01 0.00 0.00 175.02 175.22 2vae s ALA 183 N 0.96 2.43 -0.23 3.03 0.00 -1.26 -0.67 121.76 126.02 2vae s ALA 183 Ca 0.12 1.14 0.27 0.00 0.00 0.00 0.00 51.96 53.49 2vae s ALA 183 Cb -0.20 -3.52 0.77 0.00 0.00 0.00 0.00 23.12 20.18 2vae s ALA 183 CO -0.12 -1.45 1.77 0.87 0.00 0.00 0.00 175.76 176.82 2vae h LYS 184 N 0.64 0.00 -5.71 0.00 1.57 -1.59 -3.43 116.57 108.05 2vae h LYS 184 Ca -0.51 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.80 2vae h LYS 184 Cb 1.32 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.45 2vae h LYS 184 CO 0.54 0.00 -0.77 0.15 -0.57 0.00 0.00 179.45 178.79 2vae s LYS 185 N -3.39 1.15 -1.04 3.15 -0.14 -1.26 -5.06 119.74 113.15 2vae s LYS 185 Ca 0.05 -1.32 -0.13 0.00 -1.36 0.00 0.00 55.97 53.20 2vae s LYS 185 Cb 0.07 -1.14 -0.08 0.00 -1.68 0.00 0.00 37.83 35.00 2vae s LYS 185 CO 0.61 0.23 2.17 -2.30 -0.76 0.00 0.00 175.35 175.30 2vae n PRO 186 N 0.43 2.20 -1.11 -1.68 -0.02 -1.26 -4.93 135.00 128.63 2vae n PRO 186 Ca -0.14 -1.87 -0.29 0.00 -2.02 0.00 0.00 63.50 59.18 2vae n PRO 186 Cb 0.57 -2.79 0.17 0.00 -0.02 0.00 0.00 33.50 31.42 2vae n PRO 186 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2vae s VAL 187 N 3.79 2.31 0.35 -1.45 -7.23 -1.26 -4.92 120.40 111.99 2vae s VAL 187 Ca 0.51 0.10 -0.28 0.00 -1.81 0.00 0.00 61.98 60.50 2vae s VAL 187 Cb 0.13 -2.54 -0.10 0.00 0.56 0.00 0.00 36.38 34.44 2vae s VAL 187 CO 0.01 -0.13 1.30 -1.58 -0.31 0.00 0.00 175.10 174.39 2vae s GLN 188 N -4.90 4.27 0.06 4.82 0.74 -1.26 -5.01 119.66 118.38 2vae s GLN 188 Ca 0.65 2.19 -0.02 0.00 0.05 0.00 0.00 55.36 58.23 2vae s GLN 188 Cb -0.19 -2.99 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 2vae s GLN 188 CO 0.58 -0.25 0.23 -0.51 -0.55 0.00 0.00 175.29 174.79 2vae s LEU 189 N -1.95 4.35 0.95 3.68 1.43 -1.26 -4.24 118.68 121.64 2vae s LEU 189 Ca 0.51 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 2vae s LEU 189 Cb -0.39 -2.93 0.20 0.00 0.03 0.00 0.00 46.19 43.10 2vae s LEU 189 CO 0.52 0.18 1.30 -2.16 0.23 0.00 0.00 176.35 176.42 2vae s PRO 190 N -2.38 0.64 0.00 1.29 0.04 -1.26 -4.78 135.00 128.55 2vae s PRO 190 Ca 0.34 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.86 2vae s PRO 190 Cb -0.13 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2vae s PRO 190 CO 0.25 -2.39 0.00 0.41 0.04 0.00 0.00 177.00 175.31 2vae n GLY 191 N -3.71 1.61 3.68 0.56 0.00 -1.26 -4.22 105.19 101.84 2vae n GLY 191 Ca 0.16 -1.82 -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 2.16 2.86 0.32 1.61 5.04 -1.26 -4.33 117.35 123.75 2vae s TYR 192 Ca 0.00 0.88 -0.12 0.00 -2.44 0.00 0.00 57.07 55.39 2vae s TYR 192 Cb 0.00 -3.61 0.05 0.00 0.35 0.00 0.00 41.96 38.75 2vae s TYR 192 CO 0.00 -2.20 0.65 2.48 -1.34 0.00 0.00 175.55 175.14 2vae n TYR 193 N 5.64 -2.11 -4.22 4.97 4.11 -0.52 -4.85 117.16 120.18 2vae n TYR 193 Ca 0.13 -1.52 -0.20 0.00 -0.00 0.00 0.00 57.90 56.31 2vae n TYR 193 Cb 0.44 0.76 -0.12 0.00 -0.00 0.00 0.00 39.34 40.42 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 -3.38 1.35 -0.14 -3.48 1.51 -0.40 -0.72 117.35 112.08 2vae s TYR 194 Ca 0.13 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 2vae s TYR 194 Cb -0.04 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 41.07 2vae s TYR 194 CO 0.10 0.09 -0.14 0.08 -1.11 0.00 0.00 175.55 174.56 2vae s VAL 195 N -1.21 1.58 -0.03 0.71 1.01 -0.47 -0.75 120.40 121.24 2vae s VAL 195 Ca 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 2vae s VAL 195 Cb -0.10 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2vae s VAL 195 CO 0.03 0.46 0.50 -1.81 0.00 0.00 0.00 175.10 174.28 2vae s ASP 196 N 1.43 6.84 0.04 3.32 1.01 -0.50 -0.51 116.67 128.30 2vae s ASP 196 Ca 0.04 1.00 0.01 0.00 0.71 0.00 0.00 52.55 54.30 2vae s ASP 196 Cb -0.13 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 2vae s ASP 196 CO -0.10 0.15 -0.05 -0.44 0.21 0.00 0.00 175.17 174.94 2vae s SER 197 N -0.26 0.59 -0.14 0.27 0.01 -0.46 -1.17 113.70 112.53 2vae s SER 197 Ca 0.27 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 2vae s SER 197 Cb -0.17 0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.22 2vae s SER 197 CO 0.14 -0.32 0.22 -0.75 0.41 0.00 0.00 173.24 172.94 2vae s LYS 198 N -2.03 0.13 -0.16 12.44 2.20 -0.05 -1.03 119.74 131.24 2vae s LYS 198 Ca -0.08 0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 55.99 2vae s LYS 198 Cb -0.06 -0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 35.71 2vae s LYS 198 CO -0.02 -0.42 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.34 2vae s LEU 199 N 2.35 3.23 -0.02 5.43 2.96 -1.26 -1.72 118.68 129.65 2vae s LEU 199 Ca 0.04 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 2vae s LEU 199 Cb -0.13 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2vae s LEU 199 CO -0.09 0.17 -0.20 -1.81 -1.32 0.00 0.00 176.35 173.10 2vae s ASP 200 N 0.37 2.36 -0.34 3.68 1.01 0.38 -4.55 116.67 119.59 2vae s ASP 200 Ca -0.04 -0.37 -0.22 0.00 0.71 0.00 0.00 52.55 52.62 2vae s ASP 200 Cb -0.14 -0.36 0.00 0.00 1.01 0.00 0.00 42.92 43.43 2vae s ASP 200 CO 0.03 0.23 0.73 -0.63 0.21 0.00 0.00 175.17 175.74 2vae s ILE 201 N -0.36 4.81 -0.14 0.77 -1.09 -1.26 -0.89 121.20 123.04 2vae s ILE 201 Ca 0.05 0.90 0.20 0.00 -2.23 0.00 0.00 60.65 59.57 2vae s ILE 201 Cb -0.09 -4.13 -0.15 0.00 -1.58 0.00 0.00 42.46 36.50 2vae s ILE 201 CO 0.00 -0.32 0.74 0.35 -1.23 0.00 0.00 174.94 174.48 2vae n THR 202 N 5.62 0.68 -3.60 2.92 -2.24 -0.08 -4.97 114.28 112.62 2vae n THR 202 Ca 0.02 -0.60 -0.06 0.00 -2.27 0.00 0.00 64.05 61.13 2vae n THR 202 Cb 0.48 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 -5.26 -0.27 -0.10 3.42 1.04 -1.20 -4.99 113.70 106.33 2vae s SER 203 Ca -0.04 -0.14 -0.30 0.00 0.48 0.00 0.00 55.95 55.95 2vae s SER 203 Cb 0.10 0.39 0.12 0.00 0.10 0.00 0.00 66.02 66.73 2vae s SER 203 CO 0.83 -0.66 0.98 -1.38 0.98 0.00 0.00 173.24 173.99 2vae s HIS 204 N -3.08 -0.32 0.81 5.02 -0.00 -1.26 -1.11 115.29 115.36 2vae s HIS 204 Ca 0.08 0.35 -0.10 0.00 -0.00 0.00 0.00 55.06 55.39 2vae s HIS 204 Cb -0.01 0.50 0.12 0.00 -0.00 0.00 0.00 32.58 33.19 2vae s HIS 204 CO -0.05 -0.41 1.15 0.54 -0.00 0.00 0.00 174.74 175.97 2vae s ASN 205 N -1.90 4.15 0.24 7.38 2.20 -0.56 -4.96 114.94 121.49 2vae s ASN 205 Ca 0.03 0.37 -0.05 0.00 -0.94 0.00 0.00 52.86 52.27 2vae s ASN 205 Cb -0.01 -0.75 0.37 0.00 -2.00 0.00 0.00 41.25 38.86 2vae s ASN 205 CO -0.04 -2.06 1.83 -0.08 -2.94 0.00 0.00 177.10 173.81 2vae h GLU 206 N -1.03 0.87 -0.65 3.55 4.57 -2.02 -2.06 114.58 117.80 2vae h GLU 206 Ca -0.44 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2vae h GLU 206 Cb 1.29 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2vae h GLU 206 CO 0.52 0.57 0.00 -0.40 -1.18 0.00 0.00 179.01 178.52 2vae n ASP 207 N -4.67 4.87 -3.39 1.04 5.68 -1.26 -4.95 116.55 113.88 2vae n ASP 207 Ca 0.13 -2.50 -0.25 0.00 -0.50 0.00 0.00 54.79 51.67 2vae n ASP 207 Cb 0.23 -0.60 0.02 0.00 -1.14 0.00 0.00 41.12 39.63 2vae n ASP 207 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2vae n TYR 208 N 1.08 -1.98 0.53 2.11 4.02 -0.78 -4.39 117.16 117.75 2vae n TYR 208 Ca 0.26 0.59 0.12 0.00 -0.01 0.00 0.00 57.90 58.86 2vae n TYR 208 Cb 0.93 -3.66 0.16 0.00 -0.02 0.00 0.00 39.34 36.75 2vae n TYR 208 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2vae h THR 209 N -1.37 0.00 -3.43 -0.72 1.35 -1.92 -3.45 112.91 103.37 2vae h THR 209 Ca -0.49 -0.54 -0.37 0.00 -0.55 0.00 0.00 66.41 64.46 2vae h THR 209 Cb 1.33 1.12 -0.35 0.00 -1.73 0.00 0.00 68.15 68.52 2vae h THR 209 CO 0.57 0.00 -0.75 -0.63 -0.25 0.00 0.00 175.52 174.46 2vae s ILE 210 N -3.18 0.22 -0.02 6.82 1.01 -1.26 -0.97 121.20 123.82 2vae s ILE 210 Ca 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 2vae s ILE 210 Cb 0.13 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.27 2vae s ILE 210 CO 0.72 0.18 0.04 -0.69 0.00 0.00 0.00 174.94 175.19 2vae s VAL 211 N 1.31 -0.01 0.00 2.92 1.01 -0.49 -1.49 120.40 123.65 2vae s VAL 211 Ca -0.06 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2vae s VAL 211 Cb -0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2vae s VAL 211 CO -0.02 0.01 -0.18 -1.61 0.00 0.00 0.00 175.10 173.30 2vae s GLU 212 N 0.18 2.22 0.15 2.72 2.02 -0.26 -0.72 118.70 125.00 2vae s GLU 212 Ca -0.01 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.16 2vae s GLU 212 Cb -0.02 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 2vae s GLU 212 CO -0.01 0.57 -0.14 -0.65 0.02 0.00 0.00 175.26 175.06 2vae s GLN 213 N -1.08 1.12 -0.01 1.61 -0.21 -0.01 -0.90 119.66 120.18 2vae s GLN 213 Ca 0.13 -1.37 0.02 0.00 0.02 0.00 0.00 55.36 54.16 2vae s GLN 213 Cb -0.10 -0.94 -0.00 0.00 1.00 0.00 0.00 33.01 32.96 2vae s GLN 213 CO 0.03 0.17 -0.07 -0.47 -2.12 0.00 0.00 175.29 172.83 2vae s TYR 214 N -2.51 0.64 -0.01 0.91 5.04 -0.07 -1.62 117.35 119.73 2vae s TYR 214 Ca 0.14 -0.12 0.02 0.00 -2.44 0.00 0.00 57.07 54.67 2vae s TYR 214 Cb -0.03 -0.41 -0.00 0.00 0.35 0.00 0.00 41.96 41.87 2vae s TYR 214 CO 0.04 -0.01 -0.07 -2.00 -1.34 0.00 0.00 175.55 172.16 2vae s GLU 215 N -0.15 0.64 -0.07 4.97 2.12 -0.20 -0.47 118.70 125.54 2vae s GLU 215 Ca 0.02 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.13 2vae s GLU 215 Cb -0.03 -0.62 -0.02 0.00 0.26 0.00 0.00 34.13 33.73 2vae s GLU 215 CO -0.00 0.15 -0.17 0.50 -0.54 0.00 0.00 175.26 175.19 2vae s ARG 216 N -0.09 2.73 -0.16 4.30 3.52 -0.70 -1.57 118.95 126.98 2vae s ARG 216 Ca 0.02 -0.75 -0.14 0.00 -0.13 0.00 0.00 55.73 54.73 2vae s ARG 216 Cb -0.04 -2.38 0.04 0.00 -1.56 0.00 0.00 34.95 31.01 2vae s ARG 216 CO -0.00 0.46 0.42 0.00 -0.81 0.00 0.00 175.30 175.36 2vae s ALA 217 N -0.31 -1.04 -0.11 6.12 0.00 -0.16 -0.87 121.76 125.39 2vae s ALA 217 Ca 0.02 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.12 2vae s ALA 217 Cb -0.13 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.34 2vae s ALA 217 CO 0.03 -0.20 0.27 -1.21 0.00 0.00 0.00 175.76 174.64 2vae s GLU 218 N 0.28 0.24 0.28 0.00 2.02 -0.32 -2.17 118.70 119.04 2vae s GLU 218 Ca -0.00 0.55 -0.09 0.00 0.02 0.00 0.00 54.97 55.44 2vae s GLU 218 Cb -0.03 -0.08 -0.07 0.00 0.10 0.00 0.00 34.13 34.05 2vae s GLU 218 CO -0.00 -0.15 0.61 0.20 0.02 0.00 0.00 175.26 175.93 2vae s GLY 219 N 1.18 2.14 0.11 -1.39 0.00 0.15 -1.41 107.32 108.10 2vae s GLY 219 Ca -0.08 -0.29 -0.25 0.00 0.00 0.00 0.00 44.72 44.10 2vae s GLY 219 CO -0.08 -0.14 0.75 1.09 0.00 0.00 0.00 173.10 174.72 2vae s ARG 220 N -3.15 1.16 0.81 2.90 1.70 0.07 -4.35 118.95 118.09 2vae s ARG 220 Ca 0.48 -0.48 -0.11 0.00 -0.47 0.00 0.00 55.73 55.15 2vae s ARG 220 Cb -0.11 0.50 0.08 0.00 -0.57 0.00 0.00 34.95 34.85 2vae s ARG 220 CO 0.24 -0.51 1.09 -1.01 -1.08 0.00 0.00 175.30 174.03 2vae s HIS 221 N -3.50 2.70 0.43 5.89 3.76 -1.26 -1.27 115.29 122.05 2vae s HIS 221 Ca 0.04 1.23 -0.24 0.00 -0.15 0.00 0.00 55.06 55.94 2vae s HIS 221 Cb -0.02 -3.11 -0.10 0.00 1.11 0.00 0.00 32.58 30.47 2vae s HIS 221 CO -0.08 -1.89 1.02 1.58 -0.85 0.00 0.00 174.74 174.51 2vae n HIS 222 N -3.53 1.20 0.31 1.40 -0.00 -1.26 -4.81 115.22 108.52 2vae n HIS 222 Ca 0.07 0.54 0.19 0.00 0.46 0.00 0.00 57.72 58.99 2vae n HIS 222 Cb 0.56 -2.23 0.95 0.00 -0.12 0.00 0.00 29.99 29.15 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 1.49 0.00 -0.82 0.27 3.38 -2.04 -2.36 115.31 115.23 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 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2vae h LEU 223 CO 0.57 0.02 -0.12 0.49 0.09 0.00 0.00 178.44 179.49 2vae n PHE 224 N -3.17 0.00 1.64 1.13 0.99 -1.26 -5.31 117.46 111.48 2vae n PHE 224 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.58 2vae n PHE 224 Cb 0.18 -0.05 0.65 0.00 -1.00 0.00 0.00 39.48 39.26 2vae n PHE 224 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04