#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 5.21 0.71 1.55 1.01 -1.26 -4.96 121.20 123.47 2vae s ILE 8 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 2vae s ILE 8 Cb 0.00 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.62 2vae s ILE 8 CO 0.00 -0.27 1.03 -0.54 0.00 0.00 0.00 174.94 175.16 2vae s LYS 9 N 1.84 2.21 0.52 2.79 -0.14 -1.26 -4.98 119.74 120.72 2vae s LYS 9 Ca 0.08 -0.18 0.23 0.00 -1.36 0.00 0.00 55.97 54.74 2vae s LYS 9 Cb -0.18 -2.14 1.41 0.00 -1.68 0.00 0.00 37.83 35.24 2vae s LYS 9 CO 0.11 -1.26 2.11 0.93 -0.76 0.00 0.00 175.35 176.48 2vae h GLU 10 N -0.65 0.00 -4.93 1.68 5.08 -1.97 -3.40 114.58 110.38 2vae h GLU 10 Ca -0.45 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.31 2vae h GLU 10 Cb 1.31 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.23 2vae h GLU 10 CO 0.61 0.09 -0.85 0.12 -1.00 0.00 0.00 179.01 177.98 2vae s PHE 11 N -4.56 2.07 -0.00 4.33 5.36 -1.26 -3.77 117.98 120.15 2vae s PHE 11 Ca -0.04 -0.87 0.01 0.00 -0.96 0.00 0.00 56.93 55.06 2vae s PHE 11 Cb 0.15 -1.44 -0.00 0.00 -0.34 0.00 0.00 43.02 41.39 2vae s PHE 11 CO 0.62 -0.40 -0.02 -1.64 -1.46 0.00 0.00 175.22 172.32 2vae s MET 12 N 0.62 0.14 0.27 10.12 -1.94 -0.53 -5.01 119.30 122.98 2vae s MET 12 Ca -0.14 -0.06 0.03 0.00 -1.71 0.00 0.00 55.69 53.81 2vae s MET 12 Cb -0.16 -0.15 -0.03 0.00 2.01 0.00 0.00 34.83 36.50 2vae s MET 12 CO 0.04 0.03 0.42 1.03 -0.01 0.00 0.00 175.02 176.53 2vae s ARG 13 N -0.01 3.46 0.04 2.03 0.52 -1.26 -1.63 118.95 122.09 2vae s ARG 13 Ca 0.00 -0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 54.61 2vae s ARG 13 Cb -0.01 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 2vae s ARG 13 CO -0.00 0.34 -0.01 -0.59 0.02 0.00 0.00 175.30 175.05 2vae s PHE 14 N -2.08 0.38 -0.01 -0.53 -0.12 -0.40 -1.28 117.98 113.94 2vae s PHE 14 Ca 0.36 -0.80 0.04 0.00 -0.05 0.00 0.00 56.93 56.49 2vae s PHE 14 Cb -0.09 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 2vae s PHE 14 CO 0.31 -0.31 -0.12 0.15 -0.05 0.00 0.00 175.22 175.20 2vae s LYS 15 N -2.86 2.42 0.01 1.99 1.02 -0.05 -0.78 119.74 121.50 2vae s LYS 15 Ca -0.03 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.21 2vae s LYS 15 Cb 0.00 -2.39 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 2vae s LYS 15 CO -0.06 0.60 -0.06 0.54 -0.92 0.00 0.00 175.35 175.44 2vae s VAL 16 N -0.88 0.47 0.02 3.17 0.11 -0.41 -0.43 120.40 122.45 2vae s VAL 16 Ca 0.14 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 2vae s VAL 16 Cb -0.11 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.28 2vae s VAL 16 CO 0.04 -0.03 -0.04 0.00 -3.33 0.00 0.00 175.10 171.74 2vae s ARG 17 N -0.56 0.34 -0.03 1.54 1.70 -0.70 -0.24 118.95 120.99 2vae s ARG 17 Ca -0.01 -0.42 0.02 0.00 -0.47 0.00 0.00 55.73 54.85 2vae s ARG 17 Cb -0.04 -0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.18 2vae s ARG 17 CO -0.00 0.03 -0.09 1.41 -1.08 0.00 0.00 175.30 175.57 2vae s MET 18 N -0.86 1.08 -0.19 3.89 1.75 0.05 -0.51 119.30 124.51 2vae s MET 18 Ca -0.06 -0.31 -0.04 0.00 -1.25 0.00 0.00 55.69 54.03 2vae s MET 18 Cb -0.06 -0.99 -0.02 0.00 2.84 0.00 0.00 34.83 36.60 2vae s MET 18 CO -0.00 0.08 -0.03 -1.21 -0.65 0.00 0.00 175.02 173.21 2vae s GLU 19 N 0.35 3.53 0.19 4.11 2.02 -0.40 -1.33 118.70 127.17 2vae s GLU 19 Ca -0.06 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.35 2vae s GLU 19 Cb -0.11 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 2vae s GLU 19 CO 0.01 0.01 0.12 0.20 0.02 0.00 0.00 175.26 175.62 2vae s GLY 20 N 0.97 1.39 -0.14 -1.39 0.00 -0.42 -1.97 107.32 105.75 2vae s GLY 20 Ca 0.00 -1.68 -0.12 0.00 0.00 0.00 0.00 44.72 42.93 2vae s GLY 20 CO 0.01 -1.41 0.36 -0.45 0.00 0.00 0.00 173.10 171.61 2vae s SER 21 N -3.15 -0.38 -0.07 1.64 0.15 -0.34 -1.19 113.70 110.35 2vae s SER 21 Ca 0.37 0.73 -0.01 0.00 0.70 0.00 0.00 55.95 57.74 2vae s SER 21 Cb 0.07 0.73 0.03 0.00 -1.71 0.00 0.00 66.02 65.13 2vae s SER 21 CO 0.10 -0.13 -0.02 -0.69 1.20 0.00 0.00 173.24 173.70 2vae s VAL 22 N 0.32 0.50 -1.63 4.45 1.01 -0.64 -0.46 120.40 123.94 2vae s VAL 22 Ca -0.01 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 2vae s VAL 22 Cb -0.03 -0.61 0.13 0.00 0.00 0.00 0.00 36.38 35.87 2vae s VAL 22 CO -0.01 0.27 0.86 0.59 0.00 0.00 0.00 175.10 176.81 2vae n ASN 23 N 4.84 -3.84 0.00 3.32 4.13 -0.31 -0.72 115.26 122.69 2vae n ASN 23 Ca -0.12 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.22 2vae n ASN 23 Cb 0.50 -3.20 0.00 0.00 -1.54 0.00 0.00 39.78 35.54 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 -1.52 1.23 3.54 7.41 0.00 -1.26 -5.01 105.19 109.58 2vae n GLY 24 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.69 3.13 0.21 1.61 5.04 0.10 -5.06 115.29 116.63 2vae s HIS 25 Ca 0.00 0.11 -0.18 0.00 -1.54 0.00 0.00 55.06 53.46 2vae s HIS 25 Cb 0.00 -3.14 -0.08 0.00 0.04 0.00 0.00 32.58 29.40 2vae s HIS 25 CO 0.00 -0.70 0.68 -1.21 -2.34 0.00 0.00 174.74 171.17 2vae s GLU 26 N 2.63 4.16 0.19 2.88 2.02 -1.26 -1.63 118.70 127.69 2vae s GLU 26 Ca 0.21 0.75 -0.16 0.00 0.02 0.00 0.00 54.97 55.79 2vae s GLU 26 Cb -0.15 -2.86 0.02 0.00 0.10 0.00 0.00 34.13 31.25 2vae s GLU 26 CO 0.16 0.40 0.48 -0.59 0.02 0.00 0.00 175.26 175.73 2vae s PHE 27 N -1.54 -0.05 0.03 1.61 -0.12 -0.33 -4.40 117.98 113.17 2vae s PHE 27 Ca 0.42 -0.29 0.03 0.00 -0.05 0.00 0.00 56.93 57.04 2vae s PHE 27 Cb -0.16 0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 42.53 2vae s PHE 27 CO 0.20 -0.87 -0.09 -1.21 -0.05 0.00 0.00 175.22 173.20 2vae s GLU 28 N -3.88 0.60 0.01 1.99 2.02 -0.19 -1.31 118.70 117.95 2vae s GLU 28 Ca 0.10 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.47 2vae s GLU 28 Cb -0.00 -0.48 -0.01 0.00 0.10 0.00 0.00 34.13 33.73 2vae s GLU 28 CO -0.03 0.11 -0.07 0.42 0.02 0.00 0.00 175.26 175.70 2vae s ILE 29 N -0.98 0.57 0.06 -1.63 1.01 -0.44 -0.82 121.20 118.97 2vae s ILE 29 Ca -0.04 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.10 2vae s ILE 29 Cb -0.08 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 2vae s ILE 29 CO 0.01 -0.00 -0.12 -1.61 0.00 0.00 0.00 174.94 173.21 2vae s GLU 30 N -0.60 0.73 0.00 2.79 2.02 -0.21 -0.77 118.70 122.66 2vae s GLU 30 Ca -0.01 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.12 2vae s GLU 30 Cb -0.05 -0.66 0.00 0.00 0.10 0.00 0.00 34.13 33.52 2vae s GLU 30 CO 0.00 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.84 2vae n GLY 31 N 1.43 1.54 3.32 -1.39 0.00 0.66 -0.49 105.19 110.26 2vae n GLY 31 Ca -0.21 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.74 1.10 0.37 1.61 -1.05 -0.72 -1.28 118.70 116.98 2vae s GLU 32 Ca 0.00 -1.09 -0.13 0.00 -0.15 0.00 0.00 54.97 53.60 2vae s GLU 32 Cb 0.00 0.38 0.04 0.00 -0.44 0.00 0.00 34.13 34.11 2vae s GLU 32 CO 0.00 -0.40 0.71 0.20 0.95 0.00 0.00 175.26 176.72 2vae s GLY 33 N -2.93 0.60 0.14 -3.83 0.00 0.04 -0.58 107.32 100.76 2vae s GLY 33 Ca 0.14 -0.90 -0.25 0.00 0.00 0.00 0.00 44.72 43.70 2vae s GLY 33 CO -0.03 -0.46 0.84 -1.83 0.00 0.00 0.00 173.10 171.61 2vae s GLU 34 N -2.60 1.22 0.00 2.90 -1.05 -0.39 -1.28 118.70 117.50 2vae s GLU 34 Ca 0.19 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 2vae s GLU 34 Cb -0.04 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 2vae s GLU 34 CO 0.13 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.20 2vae n GLY 35 N -0.39 -1.40 2.95 -3.83 0.00 -0.65 -0.45 105.19 101.42 2vae n GLY 35 Ca -0.08 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.14 1.63 0.49 1.61 1.81 -0.01 -1.45 118.95 121.89 2vae s ARG 36 Ca 0.00 -2.15 0.14 0.00 -1.72 0.00 0.00 55.73 52.00 2vae s ARG 36 Cb 0.00 -3.13 1.15 0.00 -0.45 0.00 0.00 34.95 32.53 2vae s ARG 36 CO 0.00 -1.03 2.11 -1.35 -0.68 0.00 0.00 175.30 174.35 2vae h PRO 37 N 7.12 0.17 -0.01 3.54 0.11 -1.79 -0.88 132.00 140.26 2vae h PRO 37 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2vae h PRO 37 Cb 0.96 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2vae h PRO 37 CO 0.58 0.11 -0.27 0.66 -0.21 0.00 0.00 178.00 178.88 2vae n TYR 38 N -4.51 0.00 0.56 0.65 4.02 -1.26 -3.79 117.16 112.83 2vae n TYR 38 Ca -0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.96 2vae n TYR 38 Cb 0.11 -0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.17 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 -0.90 1.49 -1.58 -0.72 1.02 -0.43 -4.68 120.64 114.84 2vae n GLU 39 Ca 0.11 -0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 2vae n GLU 39 Cb 0.33 -1.28 -0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 1.42 0.40 3.21 0.62 0.00 -0.67 -4.70 105.19 105.47 2vae n GLY 40 Ca 0.02 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.09 1.43 -0.00 2.61 -4.23 -1.20 -0.75 115.64 111.41 2vae s THR 41 Ca 0.00 -1.18 -0.28 0.00 -1.18 0.00 0.00 61.69 59.05 2vae s THR 41 Cb 0.00 -1.27 0.09 0.00 1.34 0.00 0.00 72.50 72.66 2vae s THR 41 CO 0.00 0.06 0.79 0.00 -0.54 0.00 0.00 174.62 174.94 2vae s GLN 42 N -1.30 0.94 0.26 3.99 -2.07 -0.75 -0.83 119.66 119.90 2vae s GLN 42 Ca 0.04 -0.14 0.07 0.00 -1.82 0.00 0.00 55.36 53.52 2vae s GLN 42 Cb -0.09 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.22 2vae s GLN 42 CO 0.02 -0.37 -0.09 0.95 -1.32 0.00 0.00 175.29 174.48 2vae s THR 43 N -2.48 1.72 0.01 3.63 -4.23 0.40 -1.11 115.64 113.58 2vae s THR 43 Ca -0.01 -2.16 -0.08 0.00 -1.18 0.00 0.00 61.69 58.25 2vae s THR 43 Cb -0.01 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2vae s THR 43 CO -0.04 -0.38 0.17 0.00 -0.54 0.00 0.00 174.62 173.82 2vae s ALA 44 N -2.97 -0.36 -0.08 3.99 0.00 -0.66 -1.27 121.76 120.41 2vae s ALA 44 Ca 0.28 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.08 2vae s ALA 44 Cb 0.02 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.33 2vae s ALA 44 CO 0.11 -0.26 -0.08 0.21 0.00 0.00 0.00 175.76 175.73 2vae s LYS 45 N -1.81 1.44 0.07 0.00 2.20 0.26 -0.79 119.74 121.12 2vae s LYS 45 Ca -0.11 -0.27 0.08 0.00 -0.36 0.00 0.00 55.97 55.31 2vae s LYS 45 Cb -0.05 -1.39 -0.04 0.00 -1.51 0.00 0.00 37.83 34.85 2vae s LYS 45 CO -0.00 -0.14 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.14 2vae s LEU 46 N 1.25 2.58 -0.05 5.43 2.01 0.45 -1.76 118.68 128.58 2vae s LEU 46 Ca -0.04 -0.51 0.03 0.00 0.01 0.00 0.00 54.13 53.61 2vae s LEU 46 Cb -0.14 -1.48 0.01 0.00 0.01 0.00 0.00 46.19 44.59 2vae s LEU 46 CO -0.03 0.22 -0.12 -0.54 1.01 0.00 0.00 176.35 176.90 2vae s LYS 47 N -1.71 1.46 -0.22 1.70 1.02 0.36 -1.23 119.74 121.12 2vae s LYS 47 Ca 0.15 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 2vae s LYS 47 Cb -0.10 -1.26 -0.00 0.00 -0.52 0.00 0.00 37.83 35.94 2vae s LYS 47 CO 0.07 0.07 1.19 0.08 -0.92 0.00 0.00 175.35 175.84 2vae s VAL 48 N 0.49 4.39 -0.11 3.17 1.01 0.27 -1.04 120.40 128.58 2vae s VAL 48 Ca -0.10 1.66 0.19 0.00 0.00 0.00 0.00 61.98 63.73 2vae s VAL 48 Cb -0.13 -4.14 -0.28 0.00 0.00 0.00 0.00 36.38 31.82 2vae s VAL 48 CO 0.02 -0.23 0.26 0.35 0.00 0.00 0.00 175.10 175.51 2vae n THR 49 N 5.52 0.65 -3.87 3.92 -2.24 -0.00 -4.88 114.28 113.39 2vae n THR 49 Ca 0.13 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 61.16 2vae n THR 49 Cb 0.46 -0.23 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 2vae n THR 49 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2vae s LYS 50 N -2.95 0.21 0.00 -0.78 1.02 -1.00 -4.91 119.74 111.33 2vae s LYS 50 Ca -0.08 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 55.82 2vae s LYS 50 Cb 0.09 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 2vae s LYS 50 CO 0.82 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.62 2vae n GLY 51 N 2.52 0.68 3.91 -3.33 0.00 -1.26 -1.02 105.19 106.68 2vae n GLY 51 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.98 1.63 0.48 -0.02 0.00 -1.26 -4.18 107.32 101.99 2vae s GLY 52 Ca 0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 44.72 43.94 2vae s GLY 52 CO 0.00 -0.44 1.09 2.56 0.00 0.00 0.00 173.10 176.31 2vae s PRO 53 N -4.17 3.74 0.21 2.90 0.04 -1.26 -5.11 135.00 131.35 2vae s PRO 53 Ca 0.45 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 2vae s PRO 53 Cb -0.10 -2.22 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 2vae s PRO 53 CO 0.37 -0.51 1.17 -0.51 0.04 0.00 0.00 177.00 177.55 2vae s LEU 54 N -3.31 4.48 -0.18 -3.56 1.43 -1.26 -4.93 118.68 111.35 2vae s LEU 54 Ca 0.66 2.25 0.02 0.00 -1.03 0.00 0.00 54.13 56.03 2vae s LEU 54 Cb -0.22 -3.61 0.29 0.00 0.03 0.00 0.00 46.19 42.67 2vae s LEU 54 CO 0.26 -0.31 1.36 -0.81 0.23 0.00 0.00 176.35 177.08 2vae n PRO 55 N 2.12 1.61 -4.00 1.29 -0.04 -1.26 -4.90 135.00 129.82 2vae n PRO 55 Ca 0.03 -1.27 -0.09 0.00 -0.04 0.00 0.00 63.50 62.13 2vae n PRO 55 Cb 0.45 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.41 0.40 0.06 0.54 -0.12 -1.26 -4.68 117.98 111.50 2vae s PHE 56 Ca 0.24 -0.76 -0.31 0.00 -0.05 0.00 0.00 56.93 56.05 2vae s PHE 56 Cb 0.20 0.19 -0.08 0.00 -0.63 0.00 0.00 43.02 42.70 2vae s PHE 56 CO 0.05 -1.02 1.62 0.00 -0.05 0.00 0.00 175.22 175.82 2vae s ALA 57 N -3.92 3.67 0.38 1.99 0.00 0.06 -4.90 121.76 119.05 2vae s ALA 57 Ca 0.23 1.15 0.09 0.00 0.00 0.00 0.00 51.96 53.43 2vae s ALA 57 Cb -0.01 -3.68 0.85 0.00 0.00 0.00 0.00 23.12 20.28 2vae s ALA 57 CO 0.10 -1.09 1.95 2.35 0.00 0.00 0.00 175.76 179.08 2vae h TRP 58 N 8.29 0.66 -1.03 0.00 2.91 -1.96 -2.85 115.95 121.97 2vae h TRP 58 Ca -0.42 0.02 0.29 0.00 1.13 0.00 0.00 58.89 59.91 2vae h TRP 58 Cb 1.20 -0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 29.58 2vae h TRP 58 CO 0.78 0.33 0.72 -0.44 -1.03 0.00 0.00 178.44 178.80 2vae h ASP 59 N 0.63 0.13 1.10 2.65 3.32 -1.95 0.25 116.42 122.55 2vae h ASP 59 Ca 0.32 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 2vae h ASP 59 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 2vae h ASP 59 CO -0.11 0.03 -0.01 0.16 -1.72 0.00 0.00 179.24 177.60 2vae h ILE 60 N 0.12 0.01 0.00 0.35 3.07 -1.91 -3.08 117.51 116.07 2vae h ILE 60 Ca 0.52 -0.57 -0.20 0.00 1.55 0.00 0.00 64.86 66.16 2vae h ILE 60 Cb 1.83 1.56 -0.03 0.00 -0.27 0.00 0.00 36.82 39.90 2vae h ILE 60 CO -0.08 0.01 -1.36 -0.07 -1.05 0.00 0.00 178.15 175.59 2vae h LEU 61 N 0.00 0.00 -1.00 0.16 3.38 -0.70 -3.41 115.31 113.74 2vae h LEU 61 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 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 0.00 0.72 0.64 0.77 0.09 0.00 0.00 178.44 180.67 2vae h SER 62 N 0.00 1.02 0.00 -0.43 4.64 -1.41 -0.86 113.55 116.51 2vae h SER 62 Ca -0.17 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2vae h SER 62 Cb 1.70 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2vae h SER 62 CO 0.06 0.64 0.00 -2.65 -0.87 0.00 0.00 176.83 174.02 2vae n PRO 63 N -4.52 0.81 -0.00 4.77 -0.02 -1.26 -2.76 135.00 132.02 2vae n PRO 63 Ca 0.15 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 2vae n PRO 63 Cb 0.19 -1.27 -0.13 0.00 -0.02 0.00 0.00 33.50 32.27 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 -0.77 0.34 -1.95 -0.52 1.13 -0.33 -4.82 117.38 110.46 2vae n GLN 64 Ca 0.11 -0.09 -0.40 0.00 -1.94 0.00 0.00 57.00 54.67 2vae n GLN 64 Cb 0.05 -1.52 -0.01 0.00 0.11 0.00 0.00 30.24 28.87 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 -1.91 2.63 0.00 1.08 3.72 -1.11 -5.00 117.46 116.88 2vae n PHE 65 Ca 0.00 -2.86 0.00 0.00 -0.05 0.00 0.00 57.45 54.54 2vae n PHE 65 Cb 0.45 -1.95 0.00 0.00 -0.94 0.00 0.00 39.48 37.05 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 2.33 0.00 0.00 4.37 2.88 -1.26 -5.07 113.62 116.87 2vae n SER 69 Ca 0.61 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 58.25 2vae n SER 69 Cb 0.26 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.28 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 0.79 0.20 -1.46 4.76 -1.26 -2.31 118.16 118.88 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 -1.37 0.65 0.00 -1.84 0.00 0.00 35.03 32.48 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 -0.02 -0.18 3.04 -1.97 -2.91 116.25 114.21 2vae h VAL 71 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2vae h VAL 71 Cb 0.00 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2vae h VAL 71 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 2vae n TYR 72 N -2.52 0.01 -2.17 3.17 4.01 -0.98 -4.77 117.16 113.91 2vae n TYR 72 Ca 0.00 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 2vae n TYR 72 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 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 -1.99 3.79 0.03 -0.72 1.01 -1.10 -2.60 120.40 118.82 2vae s VAL 73 Ca 0.39 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.10 2vae s VAL 73 Cb 0.21 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 2vae s VAL 73 CO 0.33 -0.07 1.79 -0.75 0.00 0.00 0.00 175.10 176.41 2vae s LYS 74 N 3.44 4.17 -0.04 2.72 2.20 -0.92 -4.79 119.74 126.52 2vae s LYS 74 Ca 0.66 2.43 0.07 0.00 -0.36 0.00 0.00 55.97 58.77 2vae s LYS 74 Cb -0.30 -3.91 -0.02 0.00 -1.51 0.00 0.00 37.83 32.10 2vae s LYS 74 CO 0.25 -0.86 -0.26 -1.01 -0.36 0.00 0.00 175.35 173.11 2vae s HIS 75 N 3.69 2.38 0.71 4.03 3.76 -1.26 0.14 115.29 128.74 2vae s HIS 75 Ca 0.80 -0.57 -0.13 0.00 -0.15 0.00 0.00 55.06 55.01 2vae s HIS 75 Cb -0.40 -1.55 0.02 0.00 1.11 0.00 0.00 32.58 31.77 2vae s HIS 75 CO 0.35 -0.12 1.09 -1.25 -0.85 0.00 0.00 174.74 173.96 2vae s PRO 76 N -0.40 2.60 0.59 8.40 0.04 -1.26 -4.91 135.00 140.06 2vae s PRO 76 Ca 0.04 1.24 0.29 0.00 0.04 0.00 0.00 61.00 62.60 2vae s PRO 76 Cb -0.12 -1.94 1.72 0.00 0.04 0.00 0.00 34.50 34.21 2vae s PRO 76 CO 0.01 -1.38 2.17 0.00 0.04 0.00 0.00 177.00 177.84 2vae h ALA 77 N -0.54 1.68 -0.19 8.56 0.00 -2.00 -2.17 119.26 124.61 2vae h ALA 77 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2vae h ALA 77 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2vae h ALA 77 CO 0.53 -0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.23 2vae n ASP 78 N -3.85 2.03 -4.16 0.00 5.75 -1.26 -4.69 116.55 110.38 2vae n ASP 78 Ca -0.01 -1.76 -0.34 0.00 -0.01 0.00 0.00 54.79 52.68 2vae n ASP 78 Cb 0.21 -0.12 -0.15 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.76 2.60 0.21 2.12 1.01 -0.82 -5.04 121.20 119.52 2vae s ILE 79 Ca 0.34 -1.18 -0.32 0.00 0.00 0.00 0.00 60.65 59.49 2vae s ILE 79 Cb 0.19 -2.35 -0.14 0.00 0.01 0.00 0.00 42.46 40.16 2vae s ILE 79 CO 0.28 0.17 1.32 -2.65 0.00 0.00 0.00 174.94 174.06 2vae n PRO 80 N 4.60 1.68 -3.35 2.79 -0.02 -1.26 -4.65 135.00 134.79 2vae n PRO 80 Ca -0.16 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 2vae n PRO 80 Cb 0.46 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.17 5.42 -0.23 2.55 -0.08 -1.26 -4.36 116.55 120.76 2vae n ASP 81 Ca 0.13 -3.10 0.04 0.00 -1.51 0.00 0.00 54.79 50.35 2vae n ASP 81 Cb 0.28 -1.31 0.16 0.00 2.34 0.00 0.00 41.12 42.59 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 6.38 0.34 -0.60 -0.67 3.20 -1.90 0.60 116.97 124.31 2vae h TYR 82 Ca 0.18 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 2vae h TYR 82 Cb 0.83 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2vae h TYR 82 CO 0.78 -0.01 0.08 0.87 -1.64 0.00 0.00 178.16 178.23 2vae h LYS 83 N 0.33 1.00 -0.35 1.82 1.57 -1.91 -1.41 116.57 117.61 2vae h LYS 83 Ca 0.38 -0.28 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 2vae h LYS 83 Cb 0.60 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2vae h LYS 83 CO -0.44 0.95 -0.39 0.87 -0.57 0.00 0.00 179.45 179.88 2vae h LYS 84 N 0.90 0.85 0.00 3.15 1.57 -1.58 -2.87 116.57 118.59 2vae h LYS 84 Ca 0.18 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2vae h LYS 84 Cb 0.45 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2vae h LYS 84 CO 0.01 1.09 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.83 2vae h LEU 85 N 0.70 0.00 -1.76 2.94 3.38 -0.61 -2.59 115.31 117.37 2vae h LEU 85 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2vae h LEU 85 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2vae h LEU 85 CO 0.09 0.08 0.00 0.77 0.09 0.00 0.00 178.44 179.47 2vae h SER 86 N 0.00 0.00 -3.81 -0.43 4.64 -1.02 -3.44 113.55 109.49 2vae h SER 86 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2vae h SER 86 Cb 0.18 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2vae h SER 86 CO 0.01 0.00 0.18 -0.36 -0.87 0.00 0.00 176.83 175.79 2vae s PHE 87 N -3.72 3.50 -0.13 4.77 0.40 -0.98 -0.33 117.98 121.48 2vae s PHE 87 Ca -0.01 1.10 0.29 0.00 -0.60 0.00 0.00 56.93 57.71 2vae s PHE 87 Cb 0.10 -2.50 0.98 0.00 0.51 0.00 0.00 43.02 42.11 2vae s PHE 87 CO 0.42 -0.22 1.84 -1.00 0.70 0.00 0.00 175.22 176.96 2vae h PRO 88 N 0.91 0.00 -0.40 0.24 0.13 -1.89 -3.45 132.00 127.54 2vae h PRO 88 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2vae h PRO 88 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2vae h PRO 88 CO 0.63 0.00 0.24 0.93 -0.23 0.00 0.00 178.00 179.56 2vae h GLU 89 N 0.00 0.54 0.00 0.86 4.39 -1.91 -3.37 114.58 115.09 2vae h GLU 89 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2vae h GLU 89 Cb 0.68 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2vae h GLU 89 CO 0.00 0.41 0.00 0.41 -1.16 0.00 0.00 179.01 178.67 2vae n GLY 90 N -1.07 -1.69 3.46 -3.84 0.00 0.55 -4.60 105.19 98.01 2vae n GLY 90 Ca 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 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 0.07 0.16 1.61 -0.71 -0.74 -1.35 117.98 117.03 2vae s PHE 91 Ca 0.00 -0.42 0.08 0.00 -1.04 0.00 0.00 56.93 55.54 2vae s PHE 91 Cb 0.00 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 2vae s PHE 91 CO 0.00 -0.86 -0.04 0.15 -1.34 0.00 0.00 175.22 173.13 2vae s LYS 92 N -3.91 2.26 0.06 1.99 1.02 -0.17 -0.53 119.74 120.47 2vae s LYS 92 Ca 0.12 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 55.00 2vae s LYS 92 Cb 0.00 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.99 2vae s LYS 92 CO -0.01 0.46 -0.08 1.67 -0.92 0.00 0.00 175.35 176.46 2vae s TRP 93 N -1.64 0.80 0.09 3.18 1.48 -0.58 -0.04 118.94 122.23 2vae s TRP 93 Ca 0.26 -0.60 0.02 0.00 -1.06 0.00 0.00 56.10 54.72 2vae s TRP 93 Cb -0.09 -0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 31.71 2vae s TRP 93 CO 0.17 -0.08 -0.08 -1.21 -4.06 0.00 0.00 176.95 171.69 2vae s GLU 94 N -2.19 0.78 -0.09 3.25 2.02 0.06 -0.64 118.70 121.90 2vae s GLU 94 Ca -0.03 -1.19 -0.21 0.00 0.02 0.00 0.00 54.97 53.56 2vae s GLU 94 Cb -0.06 -0.29 0.05 0.00 0.10 0.00 0.00 34.13 33.92 2vae s GLU 94 CO -0.01 0.02 0.49 0.50 0.02 0.00 0.00 175.26 176.28 2vae s ARG 95 N -3.20 0.76 -0.12 1.61 3.52 -0.57 -0.61 118.95 120.33 2vae s ARG 95 Ca 0.07 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.93 2vae s ARG 95 Cb 0.01 0.35 -0.02 0.00 -1.56 0.00 0.00 34.95 33.74 2vae s ARG 95 CO -0.03 -0.19 -0.13 0.08 -0.81 0.00 0.00 175.30 174.22 2vae s VAL 96 N -0.73 3.05 -0.19 7.11 1.01 0.07 -1.19 120.40 129.53 2vae s VAL 96 Ca -0.08 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 2vae s VAL 96 Cb -0.03 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2vae s VAL 96 CO 0.05 0.53 -0.06 -0.04 0.00 0.00 0.00 175.10 175.57 2vae s MET 97 N 0.22 3.40 -0.35 2.72 -1.94 -0.16 -0.95 119.30 122.23 2vae s MET 97 Ca -0.08 -0.63 -0.06 0.00 -1.71 0.00 0.00 55.69 53.20 2vae s MET 97 Cb -0.15 -2.91 0.05 0.00 2.01 0.00 0.00 34.83 33.83 2vae s MET 97 CO 0.05 -0.07 0.13 -0.80 -0.01 0.00 0.00 175.02 174.32 2vae s ASN 98 N 1.12 5.34 0.24 3.03 0.01 -0.20 -1.54 114.94 122.95 2vae s ASN 98 Ca 0.01 -1.26 -0.14 0.00 -0.71 0.00 0.00 52.86 50.76 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 -0.01 -0.37 0.65 -0.36 -1.51 0.00 0.00 177.10 175.50 2vae s PHE 99 N 1.38 3.49 0.34 2.20 0.40 -0.28 -1.23 117.98 124.28 2vae s PHE 99 Ca -0.01 1.13 0.35 0.00 -0.60 0.00 0.00 56.93 57.81 2vae s PHE 99 Cb -0.20 -2.45 1.69 0.00 0.51 0.00 0.00 43.02 42.57 2vae s PHE 99 CO 0.02 0.26 2.11 1.05 0.70 0.00 0.00 175.22 179.36 2vae h GLU 100 N 2.84 0.00 -0.63 0.44 4.11 -1.53 -1.57 114.58 118.23 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 0.66 0.04 0.00 -0.40 0.07 0.00 0.00 179.01 179.38 2vae n ASP 101 N -3.22 3.51 0.00 3.06 5.75 -1.26 -4.95 116.55 119.44 2vae n ASP 101 Ca -0.01 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 2vae n ASP 101 Cb 0.23 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 1.41 0.47 3.69 6.12 0.00 -0.59 -4.66 105.19 111.64 2vae n GLY 102 Ca 0.21 0.00 -0.42 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 -1.41 0.54 2.85 -0.02 0.00 -1.17 -4.72 105.19 101.26 2vae n GLY 103 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.11 0.13 -0.02 1.61 1.01 -0.29 -1.13 120.40 120.61 2vae s VAL 104 Ca 0.56 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.62 2vae s VAL 104 Cb -0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 2vae s VAL 104 CO 0.62 0.08 -0.20 -0.69 0.00 0.00 0.00 175.10 174.91 2vae s VAL 105 N 0.48 1.61 0.12 2.92 1.01 -0.59 -0.72 120.40 125.23 2vae s VAL 105 Ca -0.04 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.17 2vae s VAL 105 Cb -0.07 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2vae s VAL 105 CO -0.01 0.46 -0.21 0.42 0.00 0.00 0.00 175.10 175.75 2vae s THR 106 N -0.40 2.64 0.01 3.92 -4.23 -0.55 -0.99 115.64 116.05 2vae s THR 106 Ca 0.06 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 2vae s THR 106 Cb -0.09 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 2vae s THR 106 CO -0.00 0.10 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.43 2vae s VAL 107 N -1.11 0.41 -0.01 2.29 1.01 -0.33 -1.37 120.40 121.29 2vae s VAL 107 Ca 0.16 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2vae s VAL 107 Cb -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.87 2vae s VAL 107 CO 0.09 -0.09 -0.01 0.28 0.00 0.00 0.00 175.10 175.36 2vae s THR 108 N -0.62 0.16 -0.02 3.92 -1.32 -0.50 -1.52 115.64 115.74 2vae s THR 108 Ca -0.03 -0.03 -0.05 0.00 -1.21 0.00 0.00 61.69 60.37 2vae s THR 108 Cb -0.05 -0.18 0.01 0.00 -1.51 0.00 0.00 72.50 70.76 2vae s THR 108 CO -0.00 0.08 0.11 -1.58 -2.21 0.00 0.00 174.62 171.01 2vae s GLN 109 N 0.28 0.25 -0.09 7.08 -0.44 0.19 -0.78 119.66 126.15 2vae s GLN 109 Ca -0.02 -0.07 0.04 0.00 -2.50 0.00 0.00 55.36 52.80 2vae s GLN 109 Cb -0.05 0.11 -0.00 0.00 -1.64 0.00 0.00 33.01 31.43 2vae s GLN 109 CO -0.01 -0.05 -0.23 0.34 0.50 0.00 0.00 175.29 175.85 2vae s ASP 110 N -0.50 3.20 -0.17 6.67 -1.08 -0.05 -1.52 116.67 123.21 2vae s ASP 110 Ca -0.06 -0.52 0.01 0.00 -0.52 0.00 0.00 52.55 51.46 2vae s ASP 110 Cb -0.04 -1.29 0.02 0.00 -1.46 0.00 0.00 42.92 40.16 2vae s ASP 110 CO 0.00 0.18 -0.18 -0.44 0.52 0.00 0.00 175.17 175.26 2vae s SER 111 N 0.20 3.00 0.37 -0.34 0.01 0.31 -1.39 113.70 115.87 2vae s SER 111 Ca -0.14 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.54 2vae s SER 111 Cb -0.17 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.67 2vae s SER 111 CO 0.07 -0.02 0.10 -1.54 0.41 0.00 0.00 173.24 172.27 2vae n SER 112 N 4.67 1.61 -3.76 2.44 3.41 -0.16 -1.79 113.62 120.04 2vae n SER 112 Ca -0.20 -2.91 -0.15 0.00 -0.26 0.00 0.00 58.87 55.35 2vae n SER 112 Cb 0.50 0.78 -0.16 0.00 -0.26 0.00 0.00 64.21 65.07 2vae n SER 112 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2vae s LEU 113 N 0.00 0.98 -0.20 1.04 2.96 -1.26 -0.56 118.68 121.63 2vae s LEU 113 Ca 0.14 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 2vae s LEU 113 Cb 0.01 -0.04 0.07 0.00 0.50 0.00 0.00 46.19 46.73 2vae s LEU 113 CO 0.10 -0.14 0.08 -1.58 -1.32 0.00 0.00 176.35 173.49 2vae s GLN 114 N 1.16 0.32 -1.38 1.98 0.74 0.07 -4.87 119.66 117.68 2vae s GLN 114 Ca -0.08 -0.31 -0.00 0.00 0.05 0.00 0.00 55.36 55.02 2vae s GLN 114 Cb -0.13 -1.86 0.00 0.00 1.10 0.00 0.00 33.01 32.12 2vae s GLN 114 CO -0.03 -0.72 0.50 -0.25 -0.55 0.00 0.00 175.29 174.24 2vae n ASP 115 N 5.17 -0.61 0.00 6.67 8.00 -1.26 -1.74 116.55 132.78 2vae n ASP 115 Ca -0.07 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.47 2vae n ASP 115 Cb 0.47 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 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 -1.86 0.82 3.25 0.44 0.00 -1.26 -5.02 105.19 101.55 2vae n GLY 116 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 0.22 3.10 -0.15 0.00 0.08 -0.41 -0.76 117.98 120.07 2vae s PHE 118 Ca -0.15 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2vae s PHE 118 Cb -0.17 -3.27 0.02 0.00 -0.57 0.00 0.00 43.02 39.03 2vae s PHE 118 CO 0.07 -1.07 -0.14 0.42 -0.10 0.00 0.00 175.22 174.41 2vae s ILE 119 N -1.55 1.53 -0.10 0.64 -1.09 0.27 -0.87 121.20 120.03 2vae s ILE 119 Ca 0.59 -0.61 0.02 0.00 -2.23 0.00 0.00 60.65 58.42 2vae s ILE 119 Cb -0.26 -1.45 -0.02 0.00 -1.58 0.00 0.00 42.46 39.15 2vae s ILE 119 CO 0.33 0.45 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.03 2vae s TYR 120 N 1.50 2.73 -0.10 3.97 2.02 0.43 -0.99 117.35 126.91 2vae s TYR 120 Ca 0.05 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2vae s TYR 120 Cb -0.13 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 2vae s TYR 120 CO -0.11 -0.11 -0.11 0.15 -1.57 0.00 0.00 175.55 173.81 2vae s LYS 121 N -0.00 1.76 -0.04 -0.62 1.02 -0.49 -1.72 119.74 119.64 2vae s LYS 121 Ca -0.04 -0.37 0.05 0.00 0.02 0.00 0.00 55.97 55.62 2vae s LYS 121 Cb -0.14 -1.64 -0.01 0.00 -0.52 0.00 0.00 37.83 35.51 2vae s LYS 121 CO 0.04 -0.16 -0.19 0.08 -0.92 0.00 0.00 175.35 174.20 2vae s VAL 122 N 1.32 1.56 0.01 3.17 1.01 0.33 -0.87 120.40 126.93 2vae s VAL 122 Ca -0.01 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2vae s VAL 122 Cb -0.14 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2vae s VAL 122 CO -0.05 0.45 -0.21 -0.54 0.00 0.00 0.00 175.10 174.75 2vae s LYS 123 N -0.13 1.58 -0.09 2.72 1.02 0.04 -1.28 119.74 123.59 2vae s LYS 123 Ca -0.01 -0.85 -0.04 0.00 0.02 0.00 0.00 55.97 55.09 2vae s LYS 123 Cb -0.11 -1.61 0.05 0.00 -0.52 0.00 0.00 37.83 35.64 2vae s LYS 123 CO 0.02 0.43 0.20 0.12 -0.92 0.00 0.00 175.35 175.20 2vae s PHE 124 N -0.64 -0.27 -0.13 3.18 2.19 -0.83 -1.41 117.98 120.06 2vae s PHE 124 Ca 0.08 0.71 -0.00 0.00 0.33 0.00 0.00 56.93 58.04 2vae s PHE 124 Cb -0.08 -0.08 0.03 0.00 -1.31 0.00 0.00 43.02 41.57 2vae s PHE 124 CO 0.00 -0.25 -0.10 0.42 1.83 0.00 0.00 175.22 177.12 2vae s ILE 125 N 1.75 1.27 -0.07 3.12 1.01 -0.47 -1.20 121.20 126.62 2vae s ILE 125 Ca -0.04 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.20 2vae s ILE 125 Cb -0.11 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 2vae s ILE 125 CO -0.07 0.39 -0.24 -0.83 0.00 0.00 0.00 174.94 174.19 2vae s GLY 126 N 1.61 1.32 0.11 6.18 0.00 0.39 -1.48 107.32 115.45 2vae s GLY 126 Ca 0.05 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 2vae s GLY 126 CO -0.09 -0.59 0.06 -1.34 0.00 0.00 0.00 173.10 171.14 2vae s VAL 127 N -0.10 0.13 -1.31 1.40 -7.23 0.10 -1.17 120.40 112.23 2vae s VAL 127 Ca -0.05 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 2vae s VAL 127 Cb -0.14 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2vae s VAL 127 CO 0.04 -0.60 0.00 -3.20 -0.31 0.00 0.00 175.10 171.03 2vae n ASN 128 N -0.05 -4.47 -4.70 4.85 5.15 -1.26 -1.14 115.26 113.65 2vae n ASN 128 Ca -0.08 0.28 -0.42 0.00 -0.60 0.00 0.00 54.58 53.75 2vae n ASN 128 Cb 0.63 -3.14 -0.03 0.00 -0.53 0.00 0.00 39.78 36.71 2vae n ASN 128 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2vae s PHE 129 N -2.49 3.40 0.29 1.20 0.08 -1.26 -3.04 117.98 116.16 2vae s PHE 129 Ca 0.00 1.35 -0.30 0.00 0.12 0.00 0.00 56.93 58.10 2vae s PHE 129 Cb 0.00 -3.36 -0.12 0.00 -0.57 0.00 0.00 43.02 38.97 2vae s PHE 129 CO 0.00 -1.03 1.49 -2.30 -0.10 0.00 0.00 175.22 173.28 2vae n PRO 130 N 4.38 2.43 0.26 0.24 -0.02 -1.26 -4.88 135.00 136.16 2vae n PRO 130 Ca 0.09 0.86 0.11 0.00 -2.02 0.00 0.00 63.50 62.54 2vae n PRO 130 Cb 0.47 -2.58 0.72 0.00 -0.02 0.00 0.00 33.50 32.09 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 4.17 0.00 -0.66 2.55 4.64 -1.99 -1.52 113.55 120.75 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 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2vae h SER 131 CO 0.75 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.88 2vae n ASP 132 N -4.06 3.87 -4.67 4.97 5.68 -1.26 -4.39 116.55 116.68 2vae n ASP 132 Ca -0.03 -2.00 -0.29 0.00 -0.50 0.00 0.00 54.79 51.98 2vae n ASP 132 Cb 0.16 -0.44 0.12 0.00 -1.14 0.00 0.00 41.12 39.82 2vae n ASP 132 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2vae s GLY 133 N -1.12 1.67 0.48 6.12 0.00 -0.57 -4.81 107.32 109.08 2vae s GLY 133 Ca 0.47 -0.89 0.21 0.00 0.00 0.00 0.00 44.72 44.51 2vae s GLY 133 CO 0.33 -0.33 2.02 -0.56 0.00 0.00 0.00 173.10 174.57 2vae h PRO 134 N -1.15 0.00 0.16 2.90 0.13 -1.94 -1.20 132.00 130.90 2vae h PRO 134 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2vae h PRO 134 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2vae h PRO 134 CO 0.56 0.16 -0.08 0.28 -0.23 0.00 0.00 178.00 178.69 2vae h VAL 135 N 0.00 0.95 0.00 1.56 2.07 -1.93 -0.49 116.25 118.41 2vae h VAL 135 Ca -0.00 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 2vae h VAL 135 Cb 0.34 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2vae h VAL 135 CO 0.02 0.21 -0.14 0.24 0.02 0.00 0.00 177.57 177.93 2vae h MET 136 N -0.73 0.00 -0.29 1.57 2.86 -1.75 0.28 114.93 116.87 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 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2vae h MET 136 CO 0.04 0.14 0.00 1.04 1.06 0.00 0.00 176.91 179.18 2vae n GLN 137 N -3.24 2.36 -3.58 1.72 1.13 -0.46 -4.58 117.38 110.73 2vae n GLN 137 Ca 0.01 -2.03 -0.25 0.00 -1.94 0.00 0.00 57.00 52.79 2vae n GLN 137 Cb 0.42 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.33 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 1.28 -2.42 -0.38 -1.09 5.02 -0.70 -4.91 118.16 114.96 2vae n LYS 138 Ca 0.18 0.60 0.08 0.00 -2.02 0.00 0.00 58.31 57.15 2vae n LYS 138 Cb 0.56 -4.83 0.26 0.00 -0.02 0.00 0.00 35.03 31.01 2vae n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2vae n LYS 139 N -3.96 3.12 -3.97 1.97 4.76 -0.28 -5.01 118.16 114.79 2vae n LYS 139 Ca -0.14 -2.53 -0.26 0.00 -2.87 0.00 0.00 58.31 52.51 2vae n LYS 139 Cb 0.62 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.55 5.17 -0.35 -0.18 -4.23 -1.26 -0.68 115.64 112.56 2vae s THR 140 Ca 0.39 -0.76 0.14 0.00 -1.18 0.00 0.00 61.69 60.28 2vae s THR 140 Cb 0.24 -3.66 0.40 0.00 1.34 0.00 0.00 72.50 70.82 2vae s THR 140 CO 0.20 -0.10 0.82 1.15 -0.54 0.00 0.00 174.62 176.16 2vae n MET 141 N -0.52 1.04 0.00 3.99 0.00 0.78 -4.74 117.12 117.67 2vae n MET 141 Ca -0.07 -3.32 0.00 0.00 0.00 0.00 0.00 57.70 54.31 2vae n MET 141 Cb 0.54 -1.51 0.00 0.00 0.00 0.00 0.00 33.22 32.25 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 0.14 0.91 3.84 3.17 0.00 -1.26 -4.63 105.19 107.36 2vae n GLY 142 Ca 0.18 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.64 3.52 0.62 1.61 0.52 -1.26 -0.98 118.94 120.32 2vae s TRP 143 Ca 0.00 1.16 -0.18 0.00 0.02 0.00 0.00 56.10 57.11 2vae s TRP 143 Cb 0.00 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 2vae s TRP 143 CO 0.00 0.28 1.18 -1.21 0.02 0.00 0.00 176.95 177.22 2vae s GLU 144 N -2.41 2.86 0.81 4.98 0.41 -0.40 -4.84 118.70 120.11 2vae s GLU 144 Ca 0.46 1.73 -0.14 0.00 -0.41 0.00 0.00 54.97 56.60 2vae s GLU 144 Cb -0.13 -1.93 0.05 0.00 -1.78 0.00 0.00 34.13 30.34 2vae s GLU 144 CO 0.19 -1.27 0.94 -0.35 -0.49 0.00 0.00 175.26 174.28 2vae n PRO 145 N -1.86 0.16 -4.21 0.39 -0.04 -1.26 -4.79 135.00 123.39 2vae n PRO 145 Ca 0.13 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2vae n PRO 145 Cb 0.50 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 2vae n PRO 145 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2vae s SER 146 N -1.94 0.43 -0.16 3.54 1.04 -0.06 -4.95 113.70 111.60 2vae s SER 146 Ca 0.69 -1.45 -0.05 0.00 0.48 0.00 0.00 55.95 55.63 2vae s SER 146 Cb -0.30 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.30 2vae s SER 146 CO 0.55 -0.88 0.08 -0.89 0.98 0.00 0.00 173.24 173.07 2vae s THR 147 N -4.03 -0.04 0.07 2.02 2.01 -1.26 -1.20 115.64 113.22 2vae s THR 147 Ca 0.39 -0.13 -0.22 0.00 0.31 0.00 0.00 61.69 62.04 2vae s THR 147 Cb 0.06 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 71.94 2vae s THR 147 CO 0.15 -0.23 0.66 -0.70 -0.69 0.00 0.00 174.62 173.81 2vae s GLU 148 N 2.12 4.37 -0.28 4.92 2.12 0.34 -4.53 118.70 127.76 2vae s GLU 148 Ca 0.02 0.89 -0.09 0.00 0.36 0.00 0.00 54.97 56.16 2vae s GLU 148 Cb -0.16 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 2vae s GLU 148 CO -0.08 0.49 0.12 0.50 -0.54 0.00 0.00 175.26 175.75 2vae s ARG 149 N -0.69 3.53 0.17 4.30 3.00 0.24 -1.48 118.95 128.01 2vae s ARG 149 Ca 0.33 -0.58 0.09 0.00 -1.00 0.00 0.00 55.73 54.57 2vae s ARG 149 Cb -0.20 -3.47 -0.04 0.00 0.00 0.00 0.00 34.95 31.24 2vae s ARG 149 CO 0.21 -0.29 -0.14 -0.51 0.00 0.00 0.00 175.30 174.56 2vae s LEU 150 N 1.63 2.82 0.04 -0.88 1.02 -0.05 -0.85 118.68 122.40 2vae s LEU 150 Ca 0.06 -0.63 -0.27 0.00 0.02 0.00 0.00 54.13 53.31 2vae s LEU 150 Cb -0.16 -1.55 0.08 0.00 0.02 0.00 0.00 46.19 44.58 2vae s LEU 150 CO 0.06 0.12 0.70 -0.72 0.02 0.00 0.00 176.35 176.53 2vae s TYR 151 N -1.58 -0.53 0.28 0.29 1.13 -0.39 -1.64 117.35 114.91 2vae s TYR 151 Ca 0.23 0.58 -0.25 0.00 -1.41 0.00 0.00 57.07 56.22 2vae s TYR 151 Cb -0.09 0.50 -0.09 0.00 -1.10 0.00 0.00 41.96 41.18 2vae s TYR 151 CO 0.13 -0.69 0.89 -1.25 -2.51 0.00 0.00 175.55 172.13 2vae s PRO 152 N -2.64 4.56 -0.27 -3.49 0.04 -1.26 -1.13 135.00 130.80 2vae s PRO 152 Ca -0.02 1.26 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 2vae s PRO 152 Cb -0.01 -2.91 0.08 0.00 0.04 0.00 0.00 34.50 31.70 2vae s PRO 152 CO -0.04 0.35 0.75 0.50 0.04 0.00 0.00 177.00 178.61 2vae s ARG 153 N -1.85 0.76 -1.59 4.56 3.52 -0.22 -4.93 118.95 119.19 2vae s ARG 153 Ca 0.47 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.07 2vae s ARG 153 Cb -0.20 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 2vae s ARG 153 CO 0.25 -0.11 0.00 -3.47 -0.81 0.00 0.00 175.30 171.16 2vae n ASP 154 N 3.11 -5.32 -0.28 -2.12 2.03 -1.26 -1.26 116.55 111.46 2vae n ASP 154 Ca -0.16 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.12 2vae n ASP 154 Cb 0.56 -4.38 -0.02 0.00 -0.72 0.00 0.00 41.12 36.56 2vae n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vae n GLY 155 N -1.00 0.56 3.33 0.27 0.00 -1.26 -4.99 105.19 102.08 2vae n GLY 155 Ca -0.22 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.50 0.00 -4.46 1.61 0.24 -0.39 -4.94 118.33 107.89 2vae n VAL 156 Ca -0.04 -2.33 -0.34 0.00 -2.04 0.00 0.00 64.34 59.60 2vae n VAL 156 Cb 0.32 0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 33.34 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 3.21 0.17 1.34 2.96 -0.86 -1.06 118.68 124.44 2vae s LEU 157 Ca 0.17 -0.13 0.09 0.00 -0.22 0.00 0.00 54.13 54.04 2vae s LEU 157 Cb 0.01 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2vae s LEU 157 CO 0.12 0.20 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.61 2vae s LYS 158 N 0.20 1.32 -0.02 1.98 1.02 -0.29 -0.41 119.74 123.54 2vae s LYS 158 Ca -0.03 -1.44 -0.24 0.00 0.02 0.00 0.00 55.97 54.28 2vae s LYS 158 Cb -0.14 -1.41 0.05 0.00 -0.52 0.00 0.00 37.83 35.81 2vae s LYS 158 CO 0.03 0.29 0.52 0.20 -0.92 0.00 0.00 175.35 175.47 2vae s GLY 159 N -2.71 -0.40 0.10 -3.33 0.00 -0.62 -1.26 107.32 99.10 2vae s GLY 159 Ca 0.17 0.85 0.05 0.00 0.00 0.00 0.00 44.72 45.79 2vae s GLY 159 CO 0.07 0.56 -0.12 -0.54 0.00 0.00 0.00 173.10 173.07 2vae s GLU 160 N -1.43 0.89 -0.05 2.90 8.01 -0.03 -0.29 118.70 128.70 2vae s GLU 160 Ca -0.11 -1.14 -0.04 0.00 0.01 0.00 0.00 54.97 53.69 2vae s GLU 160 Cb -0.02 -0.70 0.02 0.00 -4.31 0.00 0.00 34.13 29.12 2vae s GLU 160 CO 0.06 0.13 0.13 0.42 0.01 0.00 0.00 175.26 176.01 2vae s ILE 161 N -2.10 -0.01 -0.52 -1.63 1.01 -0.35 -0.60 121.20 116.99 2vae s ILE 161 Ca 0.05 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 2vae s ILE 161 Cb -0.05 -0.20 0.07 0.00 0.01 0.00 0.00 42.46 42.30 2vae s ILE 161 CO 0.01 0.02 0.61 -1.00 0.00 0.00 0.00 174.94 174.59 2vae s HIS 162 N 0.40 3.07 0.44 3.97 3.76 -1.26 -0.49 115.29 125.17 2vae s HIS 162 Ca -0.03 -0.72 0.08 0.00 -0.15 0.00 0.00 55.06 54.24 2vae s HIS 162 Cb -0.04 -3.62 -0.01 0.00 1.11 0.00 0.00 32.58 30.02 2vae s HIS 162 CO -0.02 -1.07 0.41 0.15 -0.85 0.00 0.00 174.74 173.37 2vae s LYS 163 N 2.48 2.51 -0.19 1.40 1.02 0.34 -4.79 119.74 122.50 2vae s LYS 163 Ca 0.12 -1.57 -0.13 0.00 0.02 0.00 0.00 55.97 54.41 2vae s LYS 163 Cb -0.21 -2.38 0.06 0.00 -0.52 0.00 0.00 37.83 34.77 2vae s LYS 163 CO 0.09 -0.27 0.49 0.00 -0.92 0.00 0.00 175.35 174.74 2vae s ALA 164 N -2.50 -1.26 -0.10 5.17 0.00 -1.26 -1.67 121.76 120.14 2vae s ALA 164 Ca 0.48 1.64 -0.16 0.00 0.00 0.00 0.00 51.96 53.92 2vae s ALA 164 Cb -0.04 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 2vae s ALA 164 CO 0.28 -0.27 0.40 -0.51 0.00 0.00 0.00 175.76 175.66 2vae s LEU 165 N 1.04 4.32 0.16 0.00 1.43 0.17 -1.27 118.68 124.53 2vae s LEU 165 Ca -0.06 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 2vae s LEU 165 Cb -0.06 -2.56 -0.08 0.00 0.03 0.00 0.00 46.19 43.52 2vae s LEU 165 CO -0.09 0.12 1.18 -0.54 0.23 0.00 0.00 176.35 177.25 2vae s LYS 166 N 0.10 4.50 0.06 1.70 1.02 -0.16 -0.39 119.74 126.57 2vae s LYS 166 Ca 0.22 1.83 -0.16 0.00 0.02 0.00 0.00 55.97 57.88 2vae s LYS 166 Cb -0.15 -3.26 -0.06 0.00 -0.52 0.00 0.00 37.83 33.83 2vae s LYS 166 CO 0.09 -0.08 0.49 -0.51 -0.92 0.00 0.00 175.35 174.41 2vae s LEU 167 N -0.05 4.46 0.29 3.17 1.43 -0.59 -0.15 118.68 127.23 2vae s LEU 167 Ca 0.53 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 2vae s LEU 167 Cb -0.31 -2.85 0.55 0.00 0.03 0.00 0.00 46.19 43.60 2vae s LEU 167 CO 0.35 0.25 1.85 0.11 0.23 0.00 0.00 176.35 179.14 2vae h LYS 168 N 4.34 0.97 -0.67 1.70 1.57 -1.19 -0.79 116.57 122.50 2vae h LYS 168 Ca -0.50 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.09 2vae h LYS 168 Cb 1.21 -0.22 -0.08 0.00 0.08 0.00 0.00 32.23 33.22 2vae h LYS 168 CO 0.63 0.64 0.17 -0.25 -0.57 0.00 0.00 179.45 180.07 2vae n ASP 169 N -4.59 5.15 0.00 0.86 8.00 -1.26 -5.02 116.55 119.69 2vae n ASP 169 Ca 0.18 -3.12 0.00 0.00 0.71 0.00 0.00 54.79 52.56 2vae n ASP 169 Cb 0.34 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 0.11 2.29 0.95 0.44 0.00 -0.30 -5.13 105.19 103.54 2vae n GLY 170 Ca 0.36 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 1.84 -2.95 3.21 -0.02 0.00 -1.26 -4.54 105.19 101.46 2vae n GLY 171 Ca 0.00 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.73 1.25 -0.19 1.61 3.76 -1.26 -1.54 115.29 118.20 2vae s HIS 172 Ca 0.00 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.35 2vae s HIS 172 Cb 0.00 -0.67 0.03 0.00 1.11 0.00 0.00 32.58 33.05 2vae s HIS 172 CO 0.00 0.08 -0.14 -0.47 -0.85 0.00 0.00 174.74 173.36 2vae s TYR 173 N -2.05 2.52 0.07 1.40 5.04 0.47 -4.91 117.35 119.89 2vae s TYR 173 Ca 0.05 -1.57 -0.15 0.00 -2.44 0.00 0.00 57.07 52.97 2vae s TYR 173 Cb -0.05 -1.73 -0.06 0.00 0.35 0.00 0.00 41.96 40.47 2vae s TYR 173 CO 0.02 -0.75 0.47 -0.51 -1.34 0.00 0.00 175.55 173.44 2vae s LEU 174 N 1.37 4.43 -0.03 6.97 1.43 -1.26 -0.65 118.68 130.93 2vae s LEU 174 Ca 0.01 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.13 2vae s LEU 174 Cb -0.15 -2.89 0.03 0.00 0.03 0.00 0.00 46.19 43.22 2vae s LEU 174 CO -0.10 0.23 0.06 -0.69 0.23 0.00 0.00 176.35 176.08 2vae s VAL 175 N -1.24 -0.07 -0.20 -1.59 1.01 -0.67 -1.38 120.40 116.26 2vae s VAL 175 Ca 0.30 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 2vae s VAL 175 Cb -0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 2vae s VAL 175 CO 0.17 0.10 0.20 -0.70 0.00 0.00 0.00 175.10 174.87 2vae s GLU 176 N 1.29 4.18 -0.12 2.72 2.12 -0.36 -0.50 118.70 128.02 2vae s GLU 176 Ca -0.07 -0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.08 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 0.21 0.11 -0.06 -0.54 0.00 0.00 175.26 174.94 2vae s PHE 177 N 0.61 3.48 -0.12 5.30 0.40 0.36 -1.03 117.98 126.98 2vae s PHE 177 Ca 0.11 0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.86 2vae s PHE 177 Cb -0.12 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.51 2vae s PHE 177 CO 0.02 0.63 -0.06 0.15 0.70 0.00 0.00 175.22 176.66 2vae s LYS 178 N -0.87 1.40 0.17 0.44 1.02 -0.13 -1.21 119.74 120.55 2vae s LYS 178 Ca 0.14 -0.26 0.11 0.00 0.02 0.00 0.00 55.97 55.98 2vae s LYS 178 Cb -0.12 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 2vae s LYS 178 CO 0.03 -0.30 -0.25 -1.12 -0.92 0.00 0.00 175.35 172.79 2vae s SER 179 N 1.73 3.38 -0.06 2.83 0.01 0.60 -0.75 113.70 121.43 2vae s SER 179 Ca 0.04 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.49 2vae s SER 179 Cb -0.13 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.88 2vae s SER 179 CO -0.08 0.15 -0.05 -0.63 0.41 0.00 0.00 173.24 173.03 2vae s ILE 180 N -1.41 0.68 -0.19 1.44 1.09 0.22 -1.59 121.20 121.45 2vae s ILE 180 Ca 0.18 -0.16 -0.01 0.00 -1.10 0.00 0.00 60.65 59.55 2vae s ILE 180 Cb -0.09 -0.71 0.00 0.00 -1.06 0.00 0.00 42.46 40.60 2vae s ILE 180 CO 0.08 0.27 -0.12 -0.31 -0.10 0.00 0.00 174.94 174.77 2vae s TYR 181 N 1.18 2.86 -0.39 3.97 2.02 0.45 -0.76 117.35 126.68 2vae s TYR 181 Ca -0.06 -1.14 0.02 0.00 -0.37 0.00 0.00 57.07 55.52 2vae s TYR 181 Cb -0.14 -1.99 0.11 0.00 -0.40 0.00 0.00 41.96 39.55 2vae s TYR 181 CO -0.01 -0.58 0.15 -1.64 -1.57 0.00 0.00 175.55 171.89 2vae s MET 182 N 1.20 1.29 0.58 -0.62 -1.94 0.95 -2.02 119.30 118.74 2vae s MET 182 Ca 0.02 -1.81 -0.20 0.00 -1.71 0.00 0.00 55.69 51.99 2vae s MET 182 Cb -0.14 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.02 2vae s MET 182 CO -0.05 -1.04 1.30 0.00 -0.01 0.00 0.00 175.02 175.22 2vae s ALA 183 N 0.75 2.66 0.28 3.03 0.00 -1.26 -1.00 121.76 126.21 2vae s ALA 183 Ca 0.13 1.21 0.21 0.00 0.00 0.00 0.00 51.96 53.52 2vae s ALA 183 Cb -0.21 -3.53 0.98 0.00 0.00 0.00 0.00 23.12 20.36 2vae s ALA 183 CO -0.09 -1.35 1.88 0.87 0.00 0.00 0.00 175.76 177.07 2vae h LYS 184 N 1.14 0.00 -6.15 0.00 1.57 -1.51 -3.43 116.57 108.19 2vae h LYS 184 Ca -0.51 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.71 2vae h LYS 184 Cb 1.31 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.44 2vae h LYS 184 CO 0.56 0.26 -0.79 0.15 -0.57 0.00 0.00 179.45 179.06 2vae s LYS 185 N -3.91 1.38 -0.95 3.15 -0.14 -1.26 -5.06 119.74 112.95 2vae s LYS 185 Ca -0.01 -1.48 -0.13 0.00 -1.36 0.00 0.00 55.97 52.99 2vae s LYS 185 Cb 0.12 -1.51 -0.09 0.00 -1.68 0.00 0.00 37.83 34.67 2vae s LYS 185 CO 0.65 0.31 2.10 -2.30 -0.76 0.00 0.00 175.35 175.35 2vae n PRO 186 N 0.19 2.02 -1.27 -1.68 -0.02 -1.26 -4.93 135.00 128.04 2vae n PRO 186 Ca -0.12 -1.77 -0.30 0.00 -2.02 0.00 0.00 63.50 59.30 2vae n PRO 186 Cb 0.57 -2.74 0.13 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.97 2.61 0.29 -1.45 -7.23 -1.26 -4.91 120.40 112.41 2vae s VAL 187 Ca 0.49 0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 60.57 2vae s VAL 187 Cb 0.13 -2.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.22 2vae s VAL 187 CO 0.02 -0.26 1.43 -1.58 -0.31 0.00 0.00 175.10 174.40 2vae s GLN 188 N -4.99 4.26 0.14 4.82 0.74 -1.26 -5.00 119.66 118.36 2vae s GLN 188 Ca 0.63 2.34 -0.06 0.00 0.05 0.00 0.00 55.36 58.32 2vae s GLN 188 Cb -0.17 -3.08 -0.06 0.00 1.10 0.00 0.00 33.01 30.80 2vae s GLN 188 CO 0.56 -0.40 0.39 -0.51 -0.55 0.00 0.00 175.29 174.79 2vae s LEU 189 N -0.92 4.27 0.96 3.68 1.43 -1.26 -4.25 118.68 122.58 2vae s LEU 189 Ca 0.56 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 54.14 2vae s LEU 189 Cb -0.42 -3.30 0.20 0.00 0.03 0.00 0.00 46.19 42.69 2vae s LEU 189 CO 0.48 0.06 1.32 -2.16 0.23 0.00 0.00 176.35 176.27 2vae s PRO 190 N -2.59 0.68 0.00 1.29 0.04 -1.26 -4.77 135.00 128.39 2vae s PRO 190 Ca 0.41 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.04 2vae s PRO 190 Cb -0.12 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2vae s PRO 190 CO 0.24 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.30 2vae n GLY 191 N -3.74 1.74 3.68 0.56 0.00 -1.26 -4.26 105.19 101.90 2vae n GLY 191 Ca 0.15 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 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 3.09 2.97 0.37 1.61 5.04 -1.26 -4.33 117.35 124.84 2vae s TYR 192 Ca 0.00 1.05 -0.13 0.00 -2.44 0.00 0.00 57.07 55.55 2vae s TYR 192 Cb 0.00 -3.50 0.05 0.00 0.35 0.00 0.00 41.96 38.86 2vae s TYR 192 CO 0.00 -1.70 0.73 2.48 -1.34 0.00 0.00 175.55 175.72 2vae n TYR 193 N 5.85 -2.22 -4.19 4.97 4.11 -0.65 -4.83 117.16 120.19 2vae n TYR 193 Ca 0.13 -1.82 -0.19 0.00 -0.00 0.00 0.00 57.90 56.02 2vae n TYR 193 Cb 0.45 0.85 -0.12 0.00 -0.00 0.00 0.00 39.34 40.52 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 -2.55 1.22 -0.14 -3.48 1.51 -0.39 -0.87 117.35 112.65 2vae s TYR 194 Ca 0.16 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 2vae s TYR 194 Cb -0.04 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 2vae s TYR 194 CO 0.12 0.06 -0.14 0.08 -1.11 0.00 0.00 175.55 174.56 2vae s VAL 195 N -1.24 1.50 -0.03 0.71 1.01 -0.55 -0.67 120.40 121.14 2vae s VAL 195 Ca -0.02 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 2vae s VAL 195 Cb -0.10 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2vae s VAL 195 CO 0.02 0.45 0.64 -1.81 0.00 0.00 0.00 175.10 174.39 2vae s ASP 196 N 1.41 6.98 0.06 3.32 1.01 -0.63 -0.50 116.67 128.32 2vae s ASP 196 Ca 0.03 1.17 0.02 0.00 0.71 0.00 0.00 52.55 54.48 2vae s ASP 196 Cb -0.13 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2vae s ASP 196 CO -0.09 0.02 -0.08 -0.44 0.21 0.00 0.00 175.17 174.79 2vae s SER 197 N 0.20 0.99 -0.13 0.27 0.01 -0.34 -1.21 113.70 113.48 2vae s SER 197 Ca 0.33 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 2vae s SER 197 Cb -0.18 0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.16 2vae s SER 197 CO 0.18 -0.27 0.20 -0.75 0.41 0.00 0.00 173.24 173.00 2vae s LYS 198 N -2.23 0.10 -0.17 12.44 2.20 0.04 -0.88 119.74 131.24 2vae s LYS 198 Ca -0.03 0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.99 2vae s LYS 198 Cb -0.06 -0.59 -0.03 0.00 -1.51 0.00 0.00 37.83 35.64 2vae s LYS 198 CO -0.01 -0.43 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.35 2vae s LEU 199 N 2.32 3.23 -0.04 5.43 2.96 -1.26 -1.62 118.68 129.70 2vae s LEU 199 Ca 0.04 -0.17 0.06 0.00 -0.22 0.00 0.00 54.13 53.85 2vae s LEU 199 Cb -0.13 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 2vae s LEU 199 CO -0.08 0.13 -0.23 -1.81 -1.32 0.00 0.00 176.35 173.03 2vae s ASP 200 N 0.61 2.81 -0.39 3.68 1.01 0.38 -4.53 116.67 120.24 2vae s ASP 200 Ca -0.02 -0.45 -0.25 0.00 0.71 0.00 0.00 52.55 52.54 2vae s ASP 200 Cb -0.14 -0.55 0.02 0.00 1.01 0.00 0.00 42.92 43.26 2vae s ASP 200 CO 0.02 0.26 0.88 -0.63 0.21 0.00 0.00 175.17 175.91 2vae s ILE 201 N -0.33 4.61 -0.19 0.77 -1.09 -1.26 -0.73 121.20 122.97 2vae s ILE 201 Ca 0.03 0.99 0.22 0.00 -2.23 0.00 0.00 60.65 59.66 2vae s ILE 201 Cb -0.11 -4.32 -0.07 0.00 -1.58 0.00 0.00 42.46 36.38 2vae s ILE 201 CO 0.01 -0.57 0.93 0.35 -1.23 0.00 0.00 174.94 174.43 2vae n THR 202 N 6.01 0.56 -3.60 2.92 -2.24 -0.03 -4.96 114.28 112.94 2vae n THR 202 Ca 0.06 -0.55 -0.04 0.00 -2.27 0.00 0.00 64.05 61.24 2vae n THR 202 Cb 0.48 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 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 -5.24 -0.18 -0.12 3.42 1.04 -1.21 -5.00 113.70 106.40 2vae s SER 203 Ca -0.02 -0.08 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 2vae s SER 203 Cb 0.10 0.25 0.12 0.00 0.10 0.00 0.00 66.02 66.60 2vae s SER 203 CO 0.81 -0.43 1.01 -1.38 0.98 0.00 0.00 173.24 174.23 2vae s HIS 204 N -2.71 -0.32 0.86 5.02 -0.00 -1.26 -1.07 115.29 115.81 2vae s HIS 204 Ca 0.10 0.42 -0.12 0.00 -0.00 0.00 0.00 55.06 55.46 2vae s HIS 204 Cb 0.00 0.48 0.15 0.00 -0.00 0.00 0.00 32.58 33.21 2vae s HIS 204 CO -0.05 -0.37 1.21 0.54 -0.00 0.00 0.00 174.74 176.07 2vae s ASN 205 N -1.62 3.81 0.37 7.38 2.20 -0.69 -4.95 114.94 121.44 2vae s ASN 205 Ca 0.02 0.32 0.04 0.00 -0.94 0.00 0.00 52.86 52.30 2vae s ASN 205 Cb -0.01 -0.58 0.73 0.00 -2.00 0.00 0.00 41.25 39.39 2vae s ASN 205 CO -0.03 -2.29 2.03 -0.08 -2.94 0.00 0.00 177.10 173.80 2vae h GLU 206 N -1.22 0.72 -0.62 3.55 4.57 -2.02 -2.22 114.58 117.33 2vae h GLU 206 Ca -0.44 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2vae h GLU 206 Cb 1.27 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2vae h GLU 206 CO 0.47 0.48 0.00 -0.40 -1.18 0.00 0.00 179.01 178.38 2vae n ASP 207 N -4.45 4.24 -3.18 1.04 5.68 -1.26 -4.95 116.55 113.66 2vae n ASP 207 Ca 0.05 -2.28 -0.23 0.00 -0.50 0.00 0.00 54.79 51.84 2vae n ASP 207 Cb 0.05 -0.50 0.02 0.00 -1.14 0.00 0.00 41.12 39.55 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 1.13 -1.97 0.36 2.11 4.02 -0.83 -4.41 117.16 117.57 2vae n TYR 208 Ca 0.23 0.54 0.12 0.00 -0.01 0.00 0.00 57.90 58.78 2vae n TYR 208 Cb 0.75 -4.01 0.05 0.00 -0.02 0.00 0.00 39.34 36.10 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 -4.36 0.38 -4.13 -0.72 -2.24 -1.26 -4.76 114.28 97.19 2vae n THR 209 Ca -0.07 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.11 2vae n THR 209 Cb 0.59 -0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 68.55 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 -3.27 0.68 -0.02 2.28 1.01 -1.26 -0.56 121.20 120.06 2vae s ILE 210 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 2vae s ILE 210 Cb 0.12 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.90 2vae s ILE 210 CO 0.78 0.27 0.04 -0.69 0.00 0.00 0.00 174.94 175.34 2vae s VAL 211 N 1.17 -0.02 0.01 2.92 1.01 -0.37 -1.70 120.40 123.42 2vae s VAL 211 Ca -0.07 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2vae s VAL 211 Cb -0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 2vae s VAL 211 CO -0.01 0.02 -0.17 -1.61 0.00 0.00 0.00 175.10 173.33 2vae s GLU 212 N 0.31 2.22 0.12 2.72 2.02 -0.24 -0.41 118.70 125.44 2vae s GLU 212 Ca -0.02 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.14 2vae s GLU 212 Cb -0.04 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 2vae s GLU 212 CO -0.01 0.57 -0.13 -0.65 0.02 0.00 0.00 175.26 175.05 2vae s GLN 213 N -1.14 0.99 -0.01 1.61 -0.21 0.03 -0.85 119.66 120.09 2vae s GLN 213 Ca 0.13 -1.22 0.02 0.00 0.02 0.00 0.00 55.36 54.31 2vae s GLN 213 Cb -0.10 -0.85 0.00 0.00 1.00 0.00 0.00 33.01 33.06 2vae s GLN 213 CO 0.03 0.16 -0.05 -0.47 -2.12 0.00 0.00 175.29 172.84 2vae s TYR 214 N -2.16 0.53 -0.01 0.91 5.04 0.09 -1.65 117.35 120.10 2vae s TYR 214 Ca 0.08 -0.10 0.02 0.00 -2.44 0.00 0.00 57.07 54.63 2vae s TYR 214 Cb -0.05 -0.37 -0.00 0.00 0.35 0.00 0.00 41.96 41.89 2vae s TYR 214 CO 0.03 -0.03 -0.07 -2.00 -1.34 0.00 0.00 175.55 172.13 2vae s GLU 215 N 0.03 0.66 -0.08 4.97 2.12 -0.27 -0.47 118.70 125.67 2vae s GLU 215 Ca 0.00 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.11 2vae s GLU 215 Cb -0.04 -0.64 -0.02 0.00 0.26 0.00 0.00 34.13 33.69 2vae s GLU 215 CO -0.00 0.13 -0.17 0.50 -0.54 0.00 0.00 175.26 175.18 2vae s ARG 216 N -0.01 2.84 -0.11 4.30 3.52 -0.64 -1.80 118.95 127.05 2vae s ARG 216 Ca 0.01 -0.75 -0.09 0.00 -0.13 0.00 0.00 55.73 54.77 2vae s ARG 216 Cb -0.05 -2.41 0.03 0.00 -1.56 0.00 0.00 34.95 30.96 2vae s ARG 216 CO -0.00 0.41 0.28 0.00 -0.81 0.00 0.00 175.30 175.18 2vae s ALA 217 N -0.19 -0.68 -0.05 6.12 0.00 0.07 -0.78 121.76 126.26 2vae s ALA 217 Ca -0.01 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 2vae s ALA 217 Cb -0.13 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.50 2vae s ALA 217 CO 0.03 -0.15 0.11 -1.21 0.00 0.00 0.00 175.76 174.55 2vae s GLU 218 N 0.42 0.08 0.25 0.00 2.02 -0.35 -2.15 118.70 118.97 2vae s GLU 218 Ca -0.02 0.26 -0.08 0.00 0.02 0.00 0.00 54.97 55.15 2vae s GLU 218 Cb -0.04 -0.10 -0.06 0.00 0.10 0.00 0.00 34.13 34.03 2vae s GLU 218 CO -0.02 -0.11 0.55 0.20 0.02 0.00 0.00 175.26 175.90 2vae s GLY 219 N 0.75 2.13 0.11 -1.39 0.00 0.12 -1.60 107.32 107.44 2vae s GLY 219 Ca -0.06 -0.37 -0.25 0.00 0.00 0.00 0.00 44.72 44.04 2vae s GLY 219 CO -0.03 -0.24 0.77 1.09 0.00 0.00 0.00 173.10 174.69 2vae s ARG 220 N -3.09 1.14 0.81 2.90 1.70 0.16 -4.37 118.95 118.20 2vae s ARG 220 Ca 0.46 -0.48 -0.11 0.00 -0.47 0.00 0.00 55.73 55.13 2vae s ARG 220 Cb -0.11 0.49 0.08 0.00 -0.57 0.00 0.00 34.95 34.84 2vae s ARG 220 CO 0.25 -0.51 1.09 -1.01 -1.08 0.00 0.00 175.30 174.04 2vae s HIS 221 N -3.46 2.64 0.40 5.89 3.76 -1.26 -1.26 115.29 122.00 2vae s HIS 221 Ca 0.05 1.30 -0.24 0.00 -0.15 0.00 0.00 55.06 56.02 2vae s HIS 221 Cb -0.02 -3.09 -0.11 0.00 1.11 0.00 0.00 32.58 30.47 2vae s HIS 221 CO -0.07 -1.92 0.95 1.58 -0.85 0.00 0.00 174.74 174.43 2vae n HIS 222 N -3.57 0.98 0.30 1.40 -0.00 -1.26 -4.81 115.22 108.26 2vae n HIS 222 Ca 0.07 0.58 0.19 0.00 0.46 0.00 0.00 57.72 59.03 2vae n HIS 222 Cb 0.55 -2.20 0.94 0.00 -0.12 0.00 0.00 29.99 29.16 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 1.50 0.00 -0.93 0.27 3.38 -2.04 -2.46 115.31 115.03 2vae h LEU 223 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2vae h LEU 223 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2vae h LEU 223 CO 0.57 0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.61 2vae n PHE 224 N -3.22 0.03 1.47 1.13 0.99 -1.26 -5.31 117.46 111.29 2vae n PHE 224 Ca -0.02 -0.01 0.14 0.00 -0.00 0.00 0.00 57.45 57.56 2vae n PHE 224 Cb 0.18 0.00 0.50 0.00 -1.00 0.00 0.00 39.48 39.16 2vae n PHE 224 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04