#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 5.05 0.70 1.34 1.01 -1.26 -5.01 121.20 123.02 2vae s ILE 8 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 2vae s ILE 8 Cb 0.00 -4.08 0.05 0.00 0.01 0.00 0.00 42.46 38.44 2vae s ILE 8 CO 0.00 -0.48 1.03 -0.54 0.00 0.00 0.00 174.94 174.94 2vae s LYS 9 N 2.23 2.33 0.55 2.79 -0.14 -1.26 -4.97 119.74 121.27 2vae s LYS 9 Ca 0.13 -0.11 0.26 0.00 -1.36 0.00 0.00 55.97 54.90 2vae s LYS 9 Cb -0.17 -2.14 1.57 0.00 -1.68 0.00 0.00 37.83 35.40 2vae s LYS 9 CO 0.14 -1.19 2.15 0.93 -0.76 0.00 0.00 175.35 176.63 2vae h GLU 10 N -0.60 0.00 -5.20 1.68 5.08 -1.97 -3.40 114.58 110.18 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 1.30 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.23 2vae h GLU 10 CO 0.61 0.06 -0.86 0.12 -1.00 0.00 0.00 179.01 177.95 2vae s PHE 11 N -4.49 2.15 -0.01 4.33 5.36 -1.26 -3.75 117.98 120.31 2vae s PHE 11 Ca -0.04 -0.81 -0.01 0.00 -0.96 0.00 0.00 56.93 55.10 2vae s PHE 11 Cb 0.15 -1.46 0.00 0.00 -0.34 0.00 0.00 43.02 41.37 2vae s PHE 11 CO 0.58 -0.33 0.04 -1.64 -1.46 0.00 0.00 175.22 172.41 2vae s MET 12 N 0.34 0.06 0.30 10.12 -1.94 -0.61 -5.01 119.30 122.56 2vae s MET 12 Ca -0.14 0.02 0.03 0.00 -1.71 0.00 0.00 55.69 53.89 2vae s MET 12 Cb -0.16 0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.68 2vae s MET 12 CO 0.06 -0.01 0.46 1.03 -0.01 0.00 0.00 175.02 176.55 2vae s ARG 13 N -0.06 3.40 0.04 2.03 0.52 -1.26 -1.62 118.95 122.00 2vae s ARG 13 Ca -0.01 -0.62 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2vae s ARG 13 Cb -0.01 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 2vae s ARG 13 CO 0.00 0.24 -0.00 -0.59 0.02 0.00 0.00 175.30 174.97 2vae s PHE 14 N -2.16 0.39 0.04 -0.53 -0.12 -0.30 -1.26 117.98 114.04 2vae s PHE 14 Ca 0.38 -0.82 0.09 0.00 -0.05 0.00 0.00 56.93 56.53 2vae s PHE 14 Cb -0.09 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 2vae s PHE 14 CO 0.32 -0.33 -0.26 0.15 -0.05 0.00 0.00 175.22 175.05 2vae s LYS 15 N -3.04 1.83 0.00 1.99 1.02 -0.29 -0.71 119.74 120.54 2vae s LYS 15 Ca -0.01 -1.09 0.02 0.00 0.02 0.00 0.00 55.97 54.90 2vae s LYS 15 Cb 0.02 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 2vae s LYS 15 CO -0.07 0.52 -0.05 0.54 -0.92 0.00 0.00 175.35 175.37 2vae s VAL 16 N -0.79 0.40 -0.02 3.17 0.11 -0.36 -0.56 120.40 122.34 2vae s VAL 16 Ca 0.12 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 58.83 2vae s VAL 16 Cb -0.10 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2vae s VAL 16 CO 0.02 0.01 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.10 2vae s ARG 17 N -0.39 1.01 -0.06 1.54 3.52 -0.63 -0.52 118.95 123.42 2vae s ARG 17 Ca -0.01 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.29 2vae s ARG 17 Cb -0.03 -0.94 0.00 0.00 -1.56 0.00 0.00 34.95 32.42 2vae s ARG 17 CO -0.00 0.15 -0.17 1.41 -0.81 0.00 0.00 175.30 175.87 2vae s MET 18 N 0.10 1.97 -0.19 5.12 -2.45 0.00 -0.72 119.30 123.13 2vae s MET 18 Ca -0.02 -0.60 -0.04 0.00 -1.25 0.00 0.00 55.69 53.78 2vae s MET 18 Cb -0.08 -1.64 -0.02 0.00 1.25 0.00 0.00 34.83 34.34 2vae s MET 18 CO 0.00 0.18 -0.03 -1.21 1.05 0.00 0.00 175.02 175.02 2vae s GLU 19 N 0.25 3.57 0.25 4.11 2.02 -0.44 -1.18 118.70 127.28 2vae s GLU 19 Ca -0.09 -0.55 -0.03 0.00 0.02 0.00 0.00 54.97 54.32 2vae s GLU 19 Cb -0.14 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 2vae s GLU 19 CO 0.04 0.05 0.27 0.20 0.02 0.00 0.00 175.26 175.83 2vae s GLY 20 N 0.88 1.36 -0.13 -1.39 0.00 -0.44 -2.00 107.32 105.61 2vae s GLY 20 Ca -0.00 -1.54 -0.14 0.00 0.00 0.00 0.00 44.72 43.03 2vae s GLY 20 CO 0.02 -1.19 0.39 -0.45 0.00 0.00 0.00 173.10 171.87 2vae s SER 21 N -3.17 -0.38 -0.05 1.64 0.15 -0.25 -0.79 113.70 110.85 2vae s SER 21 Ca 0.34 0.69 -0.01 0.00 0.70 0.00 0.00 55.95 57.68 2vae s SER 21 Cb 0.04 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 65.10 2vae s SER 21 CO 0.14 -0.19 0.01 -0.69 1.20 0.00 0.00 173.24 173.71 2vae s VAL 22 N -0.05 0.24 -1.70 4.45 1.01 -0.79 -0.54 120.40 123.02 2vae s VAL 22 Ca -0.02 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 2vae s VAL 22 Cb -0.03 -0.38 0.15 0.00 0.00 0.00 0.00 36.38 36.13 2vae s VAL 22 CO 0.01 0.20 0.72 0.59 0.00 0.00 0.00 175.10 176.63 2vae n ASN 23 N 4.67 -2.84 0.00 3.32 4.13 -0.41 -0.84 115.26 123.29 2vae n ASN 23 Ca -0.16 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.06 2vae n ASN 23 Cb 0.50 -2.62 0.00 0.00 -1.54 0.00 0.00 39.78 36.12 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 -1.43 1.65 3.55 7.41 0.00 -1.26 -5.01 105.19 110.10 2vae n GLY 24 Ca 0.04 0.00 -0.42 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 -2.69 3.11 0.23 1.61 5.04 -0.02 -5.06 115.29 117.52 2vae s HIS 25 Ca 0.00 0.17 -0.14 0.00 -1.54 0.00 0.00 55.06 53.55 2vae s HIS 25 Cb 0.00 -3.23 -0.08 0.00 0.04 0.00 0.00 32.58 29.31 2vae s HIS 25 CO 0.00 -0.74 0.63 -1.21 -2.34 0.00 0.00 174.74 171.08 2vae s GLU 26 N 2.76 3.98 0.20 2.88 2.02 -1.26 -1.88 118.70 127.39 2vae s GLU 26 Ca 0.24 0.54 -0.16 0.00 0.02 0.00 0.00 54.97 55.60 2vae s GLU 26 Cb -0.14 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.41 2vae s GLU 26 CO 0.17 0.33 0.50 -0.59 0.02 0.00 0.00 175.26 175.68 2vae s PHE 27 N -1.72 -0.04 0.01 1.61 -0.12 0.03 -4.37 117.98 113.38 2vae s PHE 27 Ca 0.46 -0.31 0.03 0.00 -0.05 0.00 0.00 56.93 57.06 2vae s PHE 27 Cb -0.13 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.59 2vae s PHE 27 CO 0.20 -0.90 -0.08 -1.21 -0.05 0.00 0.00 175.22 173.17 2vae s GLU 28 N -3.89 0.62 -0.00 1.99 2.02 -0.18 -1.32 118.70 117.93 2vae s GLU 28 Ca 0.11 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.70 2vae s GLU 28 Cb -0.01 -0.56 -0.01 0.00 0.10 0.00 0.00 34.13 33.66 2vae s GLU 28 CO -0.02 0.15 -0.06 0.42 0.02 0.00 0.00 175.26 175.76 2vae s ILE 29 N -0.48 0.50 0.08 -1.63 1.01 -0.32 -0.79 121.20 119.56 2vae s ILE 29 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.43 2vae s ILE 29 Cb -0.05 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 2vae s ILE 29 CO 0.00 0.14 -0.16 -1.61 0.00 0.00 0.00 174.94 173.31 2vae s GLU 30 N -0.16 0.91 0.15 2.79 2.02 -0.11 -0.81 118.70 123.47 2vae s GLU 30 Ca 0.02 -1.00 -0.13 0.00 0.02 0.00 0.00 54.97 53.88 2vae s GLU 30 Cb -0.03 -0.98 0.05 0.00 0.10 0.00 0.00 34.13 33.27 2vae s GLU 30 CO -0.00 0.22 0.63 0.41 0.02 0.00 0.00 175.26 176.54 2vae n GLY 31 N 1.26 0.96 3.36 -1.39 0.00 0.32 -0.37 105.19 109.33 2vae n GLY 31 Ca -0.21 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.04 1.16 0.37 1.61 -1.05 -0.65 -1.23 118.70 116.87 2vae s GLU 32 Ca 0.14 -1.01 -0.10 0.00 -0.15 0.00 0.00 54.97 53.85 2vae s GLU 32 Cb -0.02 0.42 0.04 0.00 -0.44 0.00 0.00 34.13 34.13 2vae s GLU 32 CO 0.05 -0.44 0.67 0.41 0.95 0.00 0.00 175.26 176.89 2vae n GLY 33 N -0.23 1.42 3.58 -3.83 0.00 0.11 -0.21 105.19 106.03 2vae n GLY 33 Ca -0.10 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 2vae n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2vae s GLU 34 N -2.36 1.10 0.00 1.61 -1.05 -0.57 -1.15 118.70 116.28 2vae s GLU 34 Ca 0.21 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 2vae s GLU 34 Cb -0.03 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2vae s GLU 34 CO 0.15 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.28 2vae n GLY 35 N -0.35 -1.12 2.94 -3.83 0.00 -0.64 -0.63 105.19 101.56 2vae n GLY 35 Ca -0.09 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.89 1.65 0.51 1.61 1.81 -0.14 -1.57 118.95 121.93 2vae s ARG 36 Ca 0.00 -2.21 0.18 0.00 -1.72 0.00 0.00 55.73 51.98 2vae s ARG 36 Cb 0.00 -3.09 1.26 0.00 -0.45 0.00 0.00 34.95 32.67 2vae s ARG 36 CO 0.00 -1.05 2.09 -1.35 -0.68 0.00 0.00 175.30 174.31 2vae h PRO 37 N 7.00 0.06 -0.01 3.54 0.11 -1.80 -0.66 132.00 140.26 2vae h PRO 37 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2vae h PRO 37 Cb 0.95 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2vae h PRO 37 CO 0.60 0.04 -0.28 0.66 -0.21 0.00 0.00 178.00 178.81 2vae n TYR 38 N -4.49 0.00 0.56 0.65 4.02 -1.26 -3.77 117.16 112.87 2vae n TYR 38 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.97 2vae n TYR 38 Cb 0.25 -0.15 -0.08 0.00 -0.02 0.00 0.00 39.34 39.34 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 -0.82 2.37 -1.61 -0.72 1.02 -0.35 -4.71 120.64 115.82 2vae n GLU 39 Ca 0.11 -0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.21 2vae n GLU 39 Cb 0.34 -1.15 -0.01 0.00 -0.02 0.00 0.00 31.44 30.60 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 0.40 3.22 0.62 0.00 -0.62 -4.68 105.19 105.49 2vae n GLY 40 Ca 0.02 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.11 1.51 -0.02 2.61 -4.23 -1.20 -0.76 115.64 111.42 2vae s THR 41 Ca 0.00 -1.17 -0.29 0.00 -1.18 0.00 0.00 61.69 59.05 2vae s THR 41 Cb 0.00 -1.33 0.09 0.00 1.34 0.00 0.00 72.50 72.60 2vae s THR 41 CO 0.00 0.12 0.77 0.00 -0.54 0.00 0.00 174.62 174.97 2vae s GLN 42 N -1.24 0.97 0.25 3.99 -2.07 -0.72 -0.97 119.66 119.88 2vae s GLN 42 Ca 0.06 -0.01 0.09 0.00 -1.82 0.00 0.00 55.36 53.68 2vae s GLN 42 Cb -0.09 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.23 2vae s GLN 42 CO 0.02 -0.35 -0.14 0.95 -1.32 0.00 0.00 175.29 174.45 2vae s THR 43 N -2.01 1.96 0.04 3.63 -4.23 0.20 -0.98 115.64 114.25 2vae s THR 43 Ca -0.04 -2.25 -0.08 0.00 -1.18 0.00 0.00 61.69 58.15 2vae s THR 43 Cb -0.00 -2.25 -0.00 0.00 1.34 0.00 0.00 72.50 71.58 2vae s THR 43 CO 0.00 -0.44 0.15 0.00 -0.54 0.00 0.00 174.62 173.79 2vae s ALA 44 N -2.82 -0.23 -0.07 3.99 0.00 -0.56 -1.51 121.76 120.55 2vae s ALA 44 Ca 0.27 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.84 2vae s ALA 44 Cb -0.01 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.40 2vae s ALA 44 CO 0.11 -0.33 -0.03 0.21 0.00 0.00 0.00 175.76 175.72 2vae s LYS 45 N -2.52 0.84 0.06 0.00 2.20 0.70 -0.62 119.74 120.41 2vae s LYS 45 Ca -0.06 -0.02 0.09 0.00 -0.36 0.00 0.00 55.97 55.62 2vae s LYS 45 Cb -0.01 -1.04 -0.03 0.00 -1.51 0.00 0.00 37.83 35.23 2vae s LYS 45 CO -0.04 -0.23 -0.22 -0.51 -0.36 0.00 0.00 175.35 173.99 2vae s LEU 46 N 1.60 2.41 -0.05 5.43 2.01 0.23 -1.64 118.68 128.67 2vae s LEU 46 Ca -0.00 -0.54 0.03 0.00 0.01 0.00 0.00 54.13 53.62 2vae s LEU 46 Cb -0.13 -1.39 0.01 0.00 0.01 0.00 0.00 46.19 44.68 2vae s LEU 46 CO -0.04 0.24 -0.12 -0.54 1.01 0.00 0.00 176.35 176.90 2vae s LYS 47 N -1.51 1.54 -0.12 1.70 1.02 0.50 -1.32 119.74 121.54 2vae s LYS 47 Ca 0.14 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 2vae s LYS 47 Cb -0.10 -1.32 -0.02 0.00 -0.52 0.00 0.00 37.83 35.87 2vae s LYS 47 CO 0.05 0.09 1.20 0.08 -0.92 0.00 0.00 175.35 175.85 2vae s VAL 48 N 0.44 4.33 -0.05 3.17 1.01 -0.15 -0.94 120.40 128.22 2vae s VAL 48 Ca -0.10 1.63 0.13 0.00 0.00 0.00 0.00 61.98 63.64 2vae s VAL 48 Cb -0.13 -4.05 -0.20 0.00 0.00 0.00 0.00 36.38 32.00 2vae s VAL 48 CO 0.03 -0.08 0.30 0.35 0.00 0.00 0.00 175.10 175.70 2vae n THR 49 N 5.01 0.00 -3.76 3.92 -2.24 0.03 -4.88 114.28 112.36 2vae n THR 49 Ca 0.12 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 2vae n THR 49 Cb 0.46 0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 2vae n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2vae s LYS 50 N -2.85 0.44 0.00 -0.78 2.20 -1.07 -4.94 119.74 112.75 2vae s LYS 50 Ca -0.04 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2vae s LYS 50 Cb 0.08 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 2vae s LYS 50 CO 0.53 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 2vae n GLY 51 N 2.53 0.56 3.92 5.54 0.00 -1.26 -1.01 105.19 115.48 2vae n GLY 51 Ca -0.15 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 2vae n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vae s GLY 52 N -2.21 1.61 0.44 -0.02 0.00 -1.26 -4.10 107.32 101.78 2vae s GLY 52 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 44.72 43.79 2vae s GLY 52 CO 0.00 -0.61 1.09 2.56 0.00 0.00 0.00 173.10 176.14 2vae s PRO 53 N -3.98 3.92 0.27 2.90 0.04 -1.26 -5.11 135.00 131.79 2vae s PRO 53 Ca 0.42 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 2vae s PRO 53 Cb -0.10 -2.40 -0.10 0.00 0.04 0.00 0.00 34.50 31.94 2vae s PRO 53 CO 0.34 -0.37 1.25 -0.51 0.04 0.00 0.00 177.00 177.75 2vae s LEU 54 N -2.96 4.46 -0.22 -3.56 1.43 -1.26 -4.93 118.68 111.64 2vae s LEU 54 Ca 0.62 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 56.22 2vae s LEU 54 Cb -0.24 -3.63 0.38 0.00 0.03 0.00 0.00 46.19 42.74 2vae s LEU 54 CO 0.29 -0.42 1.43 -0.81 0.23 0.00 0.00 176.35 177.06 2vae n PRO 55 N 1.55 2.02 -4.03 1.29 -0.04 -1.26 -4.89 135.00 129.63 2vae n PRO 55 Ca 0.02 -1.66 -0.10 0.00 -0.04 0.00 0.00 63.50 61.72 2vae n PRO 55 Cb 0.43 -1.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.83 0.55 0.06 0.54 -0.12 -1.26 -4.69 117.98 111.22 2vae s PHE 56 Ca 0.31 -0.88 -0.31 0.00 -0.05 0.00 0.00 56.93 56.00 2vae s PHE 56 Cb 0.25 0.08 -0.08 0.00 -0.63 0.00 0.00 43.02 42.64 2vae s PHE 56 CO 0.07 -0.98 1.63 0.00 -0.05 0.00 0.00 175.22 175.88 2vae s ALA 57 N -3.86 3.67 0.38 1.99 0.00 0.02 -4.90 121.76 119.06 2vae s ALA 57 Ca 0.25 1.16 0.11 0.00 0.00 0.00 0.00 51.96 53.48 2vae s ALA 57 Cb 0.00 -3.69 0.88 0.00 0.00 0.00 0.00 23.12 20.32 2vae s ALA 57 CO 0.11 -1.10 1.91 2.35 0.00 0.00 0.00 175.76 179.03 2vae h TRP 58 N 8.35 0.68 -0.88 0.00 2.91 -1.96 -2.90 115.95 122.16 2vae h TRP 58 Ca -0.42 0.02 0.24 0.00 1.13 0.00 0.00 58.89 59.86 2vae h TRP 58 Cb 1.20 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 29.59 2vae h TRP 58 CO 0.78 0.28 0.62 -0.44 -1.03 0.00 0.00 178.44 178.66 2vae h ASP 59 N 0.61 0.08 0.97 2.65 3.32 -1.95 0.26 116.42 122.35 2vae h ASP 59 Ca 0.38 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 2vae h ASP 59 Cb 0.65 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 2vae h ASP 59 CO -0.15 0.03 -0.04 0.16 -1.72 0.00 0.00 179.24 177.51 2vae h ILE 60 N 0.07 0.12 0.00 0.35 3.07 -1.92 -3.10 117.51 116.11 2vae h ILE 60 Ca 0.42 -0.61 -0.21 0.00 1.55 0.00 0.00 64.86 66.01 2vae h ILE 60 Cb 1.57 1.54 -0.04 0.00 -0.27 0.00 0.00 36.82 39.63 2vae h ILE 60 CO -0.04 0.04 -1.45 -0.07 -1.05 0.00 0.00 178.15 175.58 2vae h LEU 61 N 0.00 0.00 -1.01 0.16 3.38 -0.68 -3.42 115.31 113.75 2vae h LEU 61 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2vae h LEU 61 Cb 0.54 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 2vae h LEU 61 CO 0.01 0.74 0.65 0.77 0.09 0.00 0.00 178.44 180.69 2vae h SER 62 N 0.00 1.02 0.00 -0.43 4.64 -1.41 -0.78 113.55 116.59 2vae h SER 62 Ca -0.19 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2vae h SER 62 Cb 1.73 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 2vae h SER 62 CO 0.06 0.63 0.00 -2.65 -0.87 0.00 0.00 176.83 174.00 2vae n PRO 63 N -4.53 0.80 0.01 4.77 -0.02 -1.26 -2.83 135.00 131.94 2vae n PRO 63 Ca 0.16 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.75 2vae n PRO 63 Cb 0.22 -1.25 -0.12 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.75 0.56 -1.35 -0.52 1.13 -0.30 -4.82 117.38 111.33 2vae n GLN 64 Ca 0.10 -0.11 -0.26 0.00 -1.94 0.00 0.00 57.00 54.79 2vae n GLN 64 Cb 0.04 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 28.73 2vae n GLN 64 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2vae n PHE 65 N -2.24 1.35 0.00 1.08 3.72 -1.13 -5.00 117.46 115.24 2vae n PHE 65 Ca -0.02 -2.17 0.00 0.00 -0.05 0.00 0.00 57.45 55.21 2vae n PHE 65 Cb 0.53 -1.78 0.00 0.00 -0.94 0.00 0.00 39.48 37.30 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 2.19 0.00 -0.04 4.37 2.88 -1.26 -5.06 113.62 116.71 2vae n SER 69 Ca 0.55 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.19 2vae n SER 69 Cb 0.57 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.59 2vae n SER 69 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2vae n LYS 70 N 0.00 1.05 0.23 -1.46 4.76 -1.26 -2.39 118.16 119.09 2vae n LYS 70 Ca 0.00 -0.07 0.16 0.00 -2.87 0.00 0.00 58.31 55.53 2vae n LYS 70 Cb 0.00 -1.31 0.73 0.00 -1.84 0.00 0.00 35.03 32.61 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 0.15 0.00 -0.01 -0.18 3.04 -1.97 -2.81 116.25 114.47 2vae h VAL 71 Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2vae h VAL 71 Cb 0.03 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2vae h VAL 71 CO 0.00 0.00 -0.11 -1.22 -1.01 0.00 0.00 177.57 175.23 2vae n TYR 72 N -2.71 0.00 -1.92 3.17 4.01 -1.00 -4.78 117.16 113.93 2vae n TYR 72 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 2vae n TYR 72 Cb 0.19 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 2vae n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2vae s VAL 73 N -2.31 2.44 -0.14 -0.72 1.01 -1.06 -2.64 120.40 116.99 2vae s VAL 73 Ca 0.32 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 2vae s VAL 73 Cb 0.20 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2vae s VAL 73 CO 0.44 0.05 1.36 -0.75 0.00 0.00 0.00 175.10 176.20 2vae s LYS 74 N -0.22 4.22 -0.05 2.72 2.20 -0.90 -4.72 119.74 122.99 2vae s LYS 74 Ca 0.62 1.79 0.05 0.00 -0.36 0.00 0.00 55.97 58.07 2vae s LYS 74 Cb -0.44 -3.81 -0.02 0.00 -1.51 0.00 0.00 37.83 32.05 2vae s LYS 74 CO 0.43 -0.74 -0.20 -1.01 -0.36 0.00 0.00 175.35 173.48 2vae s HIS 75 N 3.60 2.56 0.80 4.03 3.76 -1.26 0.27 115.29 129.05 2vae s HIS 75 Ca 0.59 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.96 2vae s HIS 75 Cb -0.25 -1.62 0.08 0.00 1.11 0.00 0.00 32.58 31.90 2vae s HIS 75 CO 0.18 -0.02 1.09 -1.25 -0.85 0.00 0.00 174.74 173.89 2vae s PRO 76 N -0.42 2.00 0.54 8.40 0.04 -1.26 -4.92 135.00 139.37 2vae s PRO 76 Ca 0.04 1.07 0.29 0.00 0.04 0.00 0.00 61.00 62.45 2vae s PRO 76 Cb -0.12 -1.87 1.52 0.00 0.04 0.00 0.00 34.50 34.07 2vae s PRO 76 CO 0.02 -1.80 2.09 0.00 0.04 0.00 0.00 177.00 177.35 2vae h ALA 77 N -1.24 1.23 -0.13 8.56 0.00 -2.00 -2.13 119.26 123.56 2vae h ALA 77 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2vae h ALA 77 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2vae h ALA 77 CO 0.52 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 2vae n ASP 78 N -3.54 1.69 -4.20 0.00 5.75 -1.26 -4.70 116.55 110.29 2vae n ASP 78 Ca -0.02 -1.66 -0.35 0.00 -0.01 0.00 0.00 54.79 52.75 2vae n ASP 78 Cb 0.23 -0.08 -0.14 0.00 -1.03 0.00 0.00 41.12 40.10 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 -1.84 2.92 0.13 2.12 1.01 -0.80 -5.03 121.20 119.71 2vae s ILE 79 Ca 0.34 -1.11 -0.35 0.00 0.00 0.00 0.00 60.65 59.53 2vae s ILE 79 Cb 0.19 -2.54 -0.15 0.00 0.01 0.00 0.00 42.46 39.97 2vae s ILE 79 CO 0.28 0.11 1.46 -2.65 0.00 0.00 0.00 174.94 174.15 2vae n PRO 80 N 4.66 1.70 -3.22 2.79 -0.02 -1.26 -4.66 135.00 134.98 2vae n PRO 80 Ca -0.16 0.61 -0.45 0.00 -2.02 0.00 0.00 63.50 61.49 2vae n PRO 80 Cb 0.46 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 2.96 5.64 -0.21 2.55 -0.08 -1.26 -4.35 116.55 121.79 2vae n ASP 81 Ca 0.17 -3.10 0.02 0.00 -1.51 0.00 0.00 54.79 50.38 2vae n ASP 81 Cb 0.25 -1.38 0.12 0.00 2.34 0.00 0.00 41.12 42.45 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 6.47 0.08 -0.58 -0.67 3.20 -1.90 0.56 116.97 124.12 2vae h TYR 82 Ca 0.20 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 2vae h TYR 82 Cb 0.82 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 2vae h TYR 82 CO 0.84 -0.12 0.01 0.87 -1.64 0.00 0.00 178.16 178.12 2vae h LYS 83 N 0.18 0.99 -0.35 1.82 1.57 -1.91 -1.40 116.57 117.46 2vae h LYS 83 Ca 0.34 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 2vae h LYS 83 Cb 0.56 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2vae h LYS 83 CO -0.50 0.97 -0.43 0.87 -0.57 0.00 0.00 179.45 179.78 2vae h LYS 84 N 0.91 0.90 0.00 3.15 1.57 -1.52 -2.84 116.57 118.75 2vae h LYS 84 Ca 0.17 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2vae h LYS 84 Cb 0.52 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2vae h LYS 84 CO 0.03 1.15 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.90 2vae h LEU 85 N 0.72 0.00 -1.58 2.94 3.38 -0.67 -2.57 115.31 117.54 2vae h LEU 85 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2vae h LEU 85 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2vae h LEU 85 CO 0.10 0.08 0.00 0.77 0.09 0.00 0.00 178.44 179.49 2vae h SER 86 N 0.00 0.00 -4.08 -0.43 4.64 -1.00 -3.44 113.55 109.24 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 0.22 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.34 2vae h SER 86 CO 0.01 0.00 0.31 -0.36 -0.87 0.00 0.00 176.83 175.92 2vae s PHE 87 N -3.68 3.54 -0.44 4.77 0.40 -0.97 -0.53 117.98 121.06 2vae s PHE 87 Ca 0.01 1.24 0.26 0.00 -0.60 0.00 0.00 56.93 57.83 2vae s PHE 87 Cb 0.09 -2.64 0.81 0.00 0.51 0.00 0.00 43.02 41.80 2vae s PHE 87 CO 0.49 -0.43 1.75 -1.00 0.70 0.00 0.00 175.22 176.73 2vae h PRO 88 N 0.41 0.00 -0.30 0.24 0.13 -1.89 -3.45 132.00 127.14 2vae h PRO 88 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2vae h PRO 88 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2vae h PRO 88 CO 0.62 0.00 0.09 1.49 -0.23 0.00 0.00 178.00 179.97 2vae h GLU 89 N 0.00 0.48 0.00 0.86 4.81 -1.92 -3.34 114.58 115.47 2vae h GLU 89 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2vae h GLU 89 Cb 0.71 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2vae h GLU 89 CO 0.00 0.54 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 2vae n GLY 90 N -0.60 -1.36 3.39 1.92 0.00 0.31 -4.54 105.19 104.31 2vae n GLY 90 Ca -0.02 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 2vae n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vae s PHE 91 N 0.00 0.18 0.19 1.61 -0.71 -0.72 -1.58 117.98 116.96 2vae s PHE 91 Ca 0.00 -0.54 0.08 0.00 -1.04 0.00 0.00 56.93 55.43 2vae s PHE 91 Cb 0.00 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 2vae s PHE 91 CO 0.00 -0.77 -0.02 0.15 -1.34 0.00 0.00 175.22 173.24 2vae s LYS 92 N -3.92 2.32 0.03 1.99 1.02 -0.01 -0.47 119.74 120.69 2vae s LYS 92 Ca 0.13 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.93 2vae s LYS 92 Cb 0.02 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.02 2vae s LYS 92 CO -0.02 0.43 -0.04 1.67 -0.92 0.00 0.00 175.35 176.47 2vae s TRP 93 N -1.83 0.39 0.13 3.18 1.48 -0.47 -0.11 118.94 121.71 2vae s TRP 93 Ca 0.28 -0.57 0.03 0.00 -1.06 0.00 0.00 56.10 54.78 2vae s TRP 93 Cb -0.09 -0.26 -0.04 0.00 -1.16 0.00 0.00 33.47 31.92 2vae s TRP 93 CO 0.18 -0.18 -0.07 -1.21 -4.06 0.00 0.00 176.95 171.62 2vae s GLU 94 N -1.71 0.98 -0.10 3.25 2.02 0.01 -0.62 118.70 122.53 2vae s GLU 94 Ca -0.12 -1.42 -0.26 0.00 0.02 0.00 0.00 54.97 53.19 2vae s GLU 94 Cb -0.08 -0.38 0.06 0.00 0.10 0.00 0.00 34.13 33.82 2vae s GLU 94 CO -0.01 -0.00 0.61 0.50 0.02 0.00 0.00 175.26 176.38 2vae s ARG 95 N -3.81 0.91 -0.06 1.61 3.52 -0.61 -0.92 118.95 119.59 2vae s ARG 95 Ca 0.16 0.37 0.05 0.00 -0.13 0.00 0.00 55.73 56.17 2vae s ARG 95 Cb 0.04 0.43 -0.02 0.00 -1.56 0.00 0.00 34.95 33.85 2vae s ARG 95 CO -0.01 -0.24 -0.21 0.14 -0.81 0.00 0.00 175.30 174.17 2vae s VAL 96 N -0.78 2.45 -0.18 7.11 -7.23 0.04 -1.30 120.40 120.51 2vae s VAL 96 Ca -0.08 -0.93 -0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2vae s VAL 96 Cb -0.02 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.00 2vae s VAL 96 CO 0.07 0.57 -0.15 -0.04 -0.31 0.00 0.00 175.10 175.24 2vae s MET 97 N -0.28 3.16 -0.33 4.82 -1.94 -0.24 -0.96 119.30 123.53 2vae s MET 97 Ca 0.01 -0.76 -0.07 0.00 -1.71 0.00 0.00 55.69 53.15 2vae s MET 97 Cb -0.13 -2.67 0.03 0.00 2.01 0.00 0.00 34.83 34.07 2vae s MET 97 CO 0.03 -0.10 0.11 -0.80 -0.01 0.00 0.00 175.02 174.25 2vae s ASN 98 N 1.11 5.33 0.16 3.03 0.01 -0.24 -1.59 114.94 122.75 2vae s ASN 98 Ca 0.00 -0.97 -0.12 0.00 -0.71 0.00 0.00 52.86 51.07 2vae s ASN 98 Cb -0.14 -1.90 -0.07 0.00 0.41 0.00 0.00 41.25 39.55 2vae s ASN 98 CO -0.05 -0.29 0.52 -0.36 -1.51 0.00 0.00 177.10 175.41 2vae s PHE 99 N 1.46 3.55 0.42 2.20 0.40 -0.23 -1.06 117.98 124.72 2vae s PHE 99 Ca 0.00 0.96 0.34 0.00 -0.60 0.00 0.00 56.93 57.63 2vae s PHE 99 Cb -0.19 -2.30 1.72 0.00 0.51 0.00 0.00 43.02 42.76 2vae s PHE 99 CO 0.03 0.40 2.14 1.05 0.70 0.00 0.00 175.22 179.54 2vae h GLU 100 N 3.28 0.00 -0.64 0.44 4.11 -1.48 -1.66 114.58 118.64 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 0.67 0.06 0.00 -0.40 0.07 0.00 0.00 179.01 179.41 2vae n ASP 101 N -3.38 3.73 0.00 3.06 5.75 -1.26 -4.94 116.55 119.51 2vae n ASP 101 Ca -0.02 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 2vae n ASP 101 Cb 0.20 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 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 1.30 1.39 3.70 6.12 0.00 -0.62 -4.62 105.19 112.46 2vae n GLY 102 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2vae n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vae n GLY 103 N -1.12 0.54 2.87 -0.02 0.00 -1.17 -4.73 105.19 101.56 2vae n GLY 103 Ca 0.00 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.22 0.01 -0.02 1.61 1.01 -0.12 -1.07 120.40 120.60 2vae s VAL 104 Ca 0.62 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.63 2vae s VAL 104 Cb -0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 2vae s VAL 104 CO 0.57 0.01 -0.11 -0.69 0.00 0.00 0.00 175.10 174.87 2vae s VAL 105 N 0.03 0.94 0.11 2.92 1.01 -0.62 -1.01 120.40 123.78 2vae s VAL 105 Ca -0.00 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.60 2vae s VAL 105 Cb -0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2vae s VAL 105 CO -0.00 0.28 -0.15 0.42 0.00 0.00 0.00 175.10 175.65 2vae s THR 106 N 0.03 3.05 0.01 3.92 -4.23 -0.56 -1.08 115.64 116.78 2vae s THR 106 Ca -0.01 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 2vae s THR 106 Cb -0.08 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 2vae s THR 106 CO 0.00 0.12 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.47 2vae s VAL 107 N -1.16 0.30 -0.01 2.29 1.01 -0.42 -1.36 120.40 121.04 2vae s VAL 107 Ca 0.19 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2vae s VAL 107 Cb -0.11 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 35.98 2vae s VAL 107 CO 0.11 -0.07 -0.04 0.28 0.00 0.00 0.00 175.10 175.38 2vae s THR 108 N -0.47 0.37 -0.04 3.92 -1.32 -0.49 -1.58 115.64 116.03 2vae s THR 108 Ca -0.03 -0.14 -0.04 0.00 -1.21 0.00 0.00 61.69 60.27 2vae s THR 108 Cb -0.04 -0.35 0.01 0.00 -1.51 0.00 0.00 72.50 70.61 2vae s THR 108 CO -0.00 0.13 0.12 -1.58 -2.21 0.00 0.00 174.62 171.08 2vae s GLN 109 N 0.25 0.18 -0.09 7.08 -0.44 0.21 -1.16 119.66 125.68 2vae s GLN 109 Ca -0.03 0.09 0.03 0.00 -2.50 0.00 0.00 55.36 52.96 2vae s GLN 109 Cb -0.06 0.08 -0.01 0.00 -1.64 0.00 0.00 33.01 31.38 2vae s GLN 109 CO -0.00 -0.03 -0.20 0.34 0.50 0.00 0.00 175.29 175.90 2vae s ASP 110 N -0.12 3.49 -0.18 6.67 -1.08 -0.10 -1.36 116.67 123.99 2vae s ASP 110 Ca -0.02 -0.43 0.01 0.00 -0.52 0.00 0.00 52.55 51.59 2vae s ASP 110 Cb -0.02 -1.23 0.02 0.00 -1.46 0.00 0.00 42.92 40.23 2vae s ASP 110 CO 0.00 0.21 -0.19 -0.44 0.52 0.00 0.00 175.17 175.28 2vae s SER 111 N 0.05 3.06 0.44 -0.34 0.01 0.38 -1.38 113.70 115.92 2vae s SER 111 Ca -0.08 -0.63 0.03 0.00 1.31 0.00 0.00 55.95 56.59 2vae s SER 111 Cb -0.15 -1.43 -0.02 0.00 0.21 0.00 0.00 66.02 64.63 2vae s SER 111 CO 0.05 -0.01 0.11 -0.44 0.41 0.00 0.00 173.24 173.36 2vae s SER 112 N 1.32 3.10 -0.09 2.44 0.01 -0.23 -1.76 113.70 118.50 2vae s SER 112 Ca 0.05 -1.70 0.01 0.00 1.31 0.00 0.00 55.95 55.62 2vae s SER 112 Cb -0.13 0.56 0.02 0.00 0.21 0.00 0.00 66.02 66.68 2vae s SER 112 CO -0.13 -0.95 -0.09 -0.22 0.41 0.00 0.00 173.24 172.26 2vae s LEU 113 N -3.67 1.39 -0.16 2.44 2.96 -1.26 -0.51 118.68 119.87 2vae s LEU 113 Ca 0.19 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2vae s LEU 113 Cb 0.02 -0.80 0.04 0.00 0.50 0.00 0.00 46.19 45.94 2vae s LEU 113 CO 0.12 -0.05 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.48 2vae s GLN 114 N 1.19 1.38 -1.52 1.98 0.74 0.22 -4.83 119.66 118.83 2vae s GLN 114 Ca -0.05 -0.48 -0.03 0.00 0.05 0.00 0.00 55.36 54.86 2vae s GLN 114 Cb -0.14 -1.95 0.03 0.00 1.10 0.00 0.00 33.01 32.05 2vae s GLN 114 CO -0.02 -0.42 0.29 -0.25 -0.55 0.00 0.00 175.29 174.33 2vae n ASP 115 N 4.89 -0.14 0.00 6.67 8.00 -1.26 -1.66 116.55 133.05 2vae n ASP 115 Ca -0.12 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.25 2vae n ASP 115 Cb 0.48 -2.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.22 2vae n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vae n GLY 116 N -2.13 0.79 3.30 0.44 0.00 -1.26 -5.02 105.19 101.31 2vae n GLY 116 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 2vae n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vae s PHE 118 N -0.34 3.05 -0.13 0.00 0.08 -0.39 -0.61 117.98 119.64 2vae s PHE 118 Ca 0.02 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.63 2vae s PHE 118 Cb -0.12 -3.35 0.02 0.00 -0.57 0.00 0.00 43.02 38.99 2vae s PHE 118 CO 0.02 -1.27 -0.12 0.42 -0.10 0.00 0.00 175.22 174.17 2vae s ILE 119 N -1.48 1.35 -0.11 0.64 -1.09 0.33 -1.14 121.20 119.70 2vae s ILE 119 Ca 0.59 -0.50 0.02 0.00 -2.23 0.00 0.00 60.65 58.53 2vae s ILE 119 Cb -0.29 -1.29 -0.01 0.00 -1.58 0.00 0.00 42.46 39.29 2vae s ILE 119 CO 0.36 0.42 -0.18 -0.31 -1.23 0.00 0.00 174.94 174.00 2vae s TYR 120 N 1.49 2.68 -0.12 3.97 2.02 0.27 -1.06 117.35 126.60 2vae s TYR 120 Ca 0.03 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 2vae s TYR 120 Cb -0.13 -1.76 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2vae s TYR 120 CO -0.08 -0.27 -0.14 0.15 -1.57 0.00 0.00 175.55 173.64 2vae s LYS 121 N 0.25 2.14 -0.05 -0.62 1.02 -0.48 -1.61 119.74 120.40 2vae s LYS 121 Ca -0.12 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.39 2vae s LYS 121 Cb -0.16 -1.92 -0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2vae s LYS 121 CO 0.07 -0.15 -0.18 0.08 -0.92 0.00 0.00 175.35 174.24 2vae s VAL 122 N 1.26 1.50 0.01 3.17 1.01 0.10 -0.92 120.40 126.53 2vae s VAL 122 Ca -0.01 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2vae s VAL 122 Cb -0.14 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 2vae s VAL 122 CO -0.06 0.43 -0.23 -0.54 0.00 0.00 0.00 175.10 174.70 2vae s LYS 123 N 0.08 1.75 -0.07 2.72 1.02 -0.31 -1.32 119.74 123.60 2vae s LYS 123 Ca -0.05 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 55.00 2vae s LYS 123 Cb -0.12 -1.77 0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2vae s LYS 123 CO 0.03 0.47 0.15 0.12 -0.92 0.00 0.00 175.35 175.20 2vae s PHE 124 N -0.65 -0.16 -0.14 3.18 2.19 -0.85 -1.40 117.98 120.16 2vae s PHE 124 Ca 0.09 0.53 -0.00 0.00 0.33 0.00 0.00 56.93 57.88 2vae s PHE 124 Cb -0.09 -0.19 0.03 0.00 -1.31 0.00 0.00 43.02 41.46 2vae s PHE 124 CO 0.00 -0.22 -0.11 0.42 1.83 0.00 0.00 175.22 177.15 2vae s ILE 125 N 1.75 1.31 -0.09 3.12 1.01 -0.46 -1.09 121.20 126.74 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 -0.06 0.39 -0.20 -0.83 0.00 0.00 0.00 174.94 174.24 2vae s GLY 126 N 1.59 1.40 0.10 6.18 0.00 0.30 -1.49 107.32 115.40 2vae s GLY 126 Ca 0.04 -0.97 -0.00 0.00 0.00 0.00 0.00 44.72 43.79 2vae s GLY 126 CO -0.09 -0.44 -0.01 -1.34 0.00 0.00 0.00 173.10 171.22 2vae s VAL 127 N 0.06 0.33 -1.11 1.40 -7.23 -0.18 -1.29 120.40 112.38 2vae s VAL 127 Ca -0.08 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2vae s VAL 127 Cb -0.15 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2vae s VAL 127 CO 0.05 -0.75 0.00 -3.20 -0.31 0.00 0.00 175.10 170.89 2vae n ASN 128 N -0.02 -4.19 -4.70 4.85 5.15 -1.26 -0.95 115.26 114.14 2vae n ASN 128 Ca -0.10 0.23 -0.42 0.00 -0.60 0.00 0.00 54.58 53.69 2vae n ASN 128 Cb 0.62 -2.73 -0.03 0.00 -0.53 0.00 0.00 39.78 37.11 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 -2.41 3.42 0.37 1.20 0.08 -1.26 -3.04 117.98 116.34 2vae s PHE 129 Ca 0.00 1.43 -0.28 0.00 0.12 0.00 0.00 56.93 58.20 2vae s PHE 129 Cb 0.00 -3.30 -0.11 0.00 -0.57 0.00 0.00 43.02 39.04 2vae s PHE 129 CO 0.00 -0.76 1.45 -2.30 -0.10 0.00 0.00 175.22 173.51 2vae n PRO 130 N 4.58 2.56 0.25 0.24 -0.02 -1.26 -4.88 135.00 136.47 2vae n PRO 130 Ca 0.09 0.90 0.09 0.00 -2.02 0.00 0.00 63.50 62.56 2vae n PRO 130 Cb 0.48 -2.60 0.63 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 2.85 0.00 -0.59 2.55 4.64 -1.99 -1.74 113.55 119.28 2vae h SER 131 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 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 0.64 0.14 0.00 -0.90 -0.87 0.00 0.00 176.83 175.84 2vae n ASP 132 N -4.02 4.40 -4.68 4.97 5.68 -1.26 -4.44 116.55 117.20 2vae n ASP 132 Ca -0.02 -2.40 -0.27 0.00 -0.50 0.00 0.00 54.79 51.60 2vae n ASP 132 Cb 0.23 -0.53 0.11 0.00 -1.14 0.00 0.00 41.12 39.79 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 -1.02 1.70 0.50 6.12 0.00 -0.65 -4.82 107.32 109.14 2vae s GLY 133 Ca 0.47 -1.02 0.25 0.00 0.00 0.00 0.00 44.72 44.42 2vae s GLY 133 CO 0.23 -0.48 2.03 -0.56 0.00 0.00 0.00 173.10 174.32 2vae h PRO 134 N -0.99 0.00 0.13 2.90 0.13 -1.95 -0.51 132.00 131.71 2vae h PRO 134 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2vae h PRO 134 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2vae h PRO 134 CO 0.53 0.15 -0.06 0.28 -0.23 0.00 0.00 178.00 178.67 2vae h VAL 135 N 0.00 0.94 0.00 1.56 2.07 -1.93 0.50 116.25 119.39 2vae h VAL 135 Ca -0.00 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 2vae h VAL 135 Cb 0.38 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2vae h VAL 135 CO 0.02 0.25 -0.15 0.24 0.02 0.00 0.00 177.57 177.95 2vae h MET 136 N -0.85 0.00 -0.44 1.57 2.86 -1.75 0.16 114.93 116.48 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 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2vae h MET 136 CO 0.03 0.15 0.00 1.04 1.06 0.00 0.00 176.91 179.19 2vae n GLN 137 N -3.40 2.55 -3.52 1.72 1.13 -0.21 -4.59 117.38 111.05 2vae n GLN 137 Ca -0.00 -2.35 -0.20 0.00 -1.94 0.00 0.00 57.00 52.51 2vae n GLN 137 Cb 0.34 -1.53 0.06 0.00 0.11 0.00 0.00 30.24 29.22 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 1.53 -4.34 -0.33 -1.09 5.02 -0.71 -4.91 118.16 113.32 2vae n LYS 138 Ca 0.20 0.72 0.09 0.00 -2.02 0.00 0.00 58.31 57.31 2vae n LYS 138 Cb 0.61 -5.39 0.27 0.00 -0.02 0.00 0.00 35.03 30.51 2vae n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2vae n LYS 139 N -3.99 2.87 -3.73 1.97 4.76 0.09 -5.00 118.16 115.13 2vae n LYS 139 Ca -0.22 -2.49 -0.28 0.00 -2.87 0.00 0.00 58.31 52.45 2vae n LYS 139 Cb 0.65 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.31 2vae n LYS 139 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2vae s THR 140 N -1.11 5.22 -0.35 -0.18 -4.23 -1.26 -0.77 115.64 112.96 2vae s THR 140 Ca 0.41 -0.37 0.15 0.00 -1.18 0.00 0.00 61.69 60.69 2vae s THR 140 Cb 0.22 -3.72 0.41 0.00 1.34 0.00 0.00 72.50 70.75 2vae s THR 140 CO 0.26 -0.14 0.87 1.15 -0.54 0.00 0.00 174.62 176.22 2vae n MET 141 N -0.57 1.18 0.00 3.99 0.00 0.88 -4.75 117.12 117.84 2vae n MET 141 Ca -0.05 -3.37 0.00 0.00 0.00 0.00 0.00 57.70 54.28 2vae n MET 141 Cb 0.54 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.28 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 0.06 1.52 3.86 3.17 0.00 -1.26 -4.64 105.19 107.90 2vae n GLY 142 Ca 0.17 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.76 3.42 0.65 1.61 0.52 -1.26 -0.85 118.94 120.26 2vae s TRP 143 Ca 0.00 1.04 -0.16 0.00 0.02 0.00 0.00 56.10 57.00 2vae s TRP 143 Cb 0.00 -2.39 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 2vae s TRP 143 CO 0.00 0.20 1.13 -1.21 0.02 0.00 0.00 176.95 177.09 2vae s GLU 144 N -2.82 2.82 0.78 4.98 0.41 -0.36 -4.85 118.70 119.65 2vae s GLU 144 Ca 0.50 1.48 -0.14 0.00 -0.41 0.00 0.00 54.97 56.39 2vae s GLU 144 Cb -0.11 -1.94 0.05 0.00 -1.78 0.00 0.00 34.13 30.35 2vae s GLU 144 CO 0.19 -1.25 1.13 -0.35 -0.49 0.00 0.00 175.26 174.49 2vae n PRO 145 N -2.25 0.34 -4.24 0.39 -0.04 -1.26 -4.78 135.00 123.15 2vae n PRO 145 Ca 0.11 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.62 2vae n PRO 145 Cb 0.52 -2.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.49 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 -1.93 0.74 -0.13 3.54 1.04 -0.23 -4.96 113.70 111.77 2vae s SER 146 Ca 0.74 -1.32 -0.03 0.00 0.48 0.00 0.00 55.95 55.82 2vae s SER 146 Cb -0.31 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.10 2vae s SER 146 CO 0.50 -0.73 0.05 -0.89 0.98 0.00 0.00 173.24 173.14 2vae s THR 147 N -3.91 0.21 0.05 2.02 2.01 -1.26 -1.36 115.64 113.41 2vae s THR 147 Ca 0.33 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.03 2vae s THR 147 Cb 0.07 -0.63 -0.06 0.00 0.01 0.00 0.00 72.50 71.89 2vae s THR 147 CO 0.09 -0.04 0.56 -0.70 -0.69 0.00 0.00 174.62 173.84 2vae s GLU 148 N 2.02 4.21 -0.32 4.92 2.12 0.14 -4.53 118.70 127.25 2vae s GLU 148 Ca 0.02 0.71 -0.10 0.00 0.36 0.00 0.00 54.97 55.96 2vae s GLU 148 Cb -0.15 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.98 2vae s GLU 148 CO -0.07 0.58 0.16 0.50 -0.54 0.00 0.00 175.26 175.90 2vae s ARG 149 N -0.89 3.21 0.18 4.30 3.00 0.01 -1.34 118.95 127.41 2vae s ARG 149 Ca 0.29 -0.81 0.08 0.00 -1.00 0.00 0.00 55.73 54.29 2vae s ARG 149 Cb -0.19 -3.60 -0.04 0.00 0.00 0.00 0.00 34.95 31.12 2vae s ARG 149 CO 0.18 -0.48 -0.03 -0.51 0.00 0.00 0.00 175.30 174.46 2vae s LEU 150 N 1.60 3.20 0.02 -0.88 1.02 0.17 -1.22 118.68 122.59 2vae s LEU 150 Ca 0.04 -0.45 -0.28 0.00 0.02 0.00 0.00 54.13 53.46 2vae s LEU 150 Cb -0.18 -1.87 0.08 0.00 0.02 0.00 0.00 46.19 44.25 2vae s LEU 150 CO 0.06 0.09 0.74 -0.72 0.02 0.00 0.00 176.35 176.54 2vae s TYR 151 N -1.72 -0.51 0.25 0.29 1.13 -0.38 -1.64 117.35 114.77 2vae s TYR 151 Ca 0.27 0.60 -0.26 0.00 -1.41 0.00 0.00 57.07 56.27 2vae s TYR 151 Cb -0.09 0.49 -0.09 0.00 -1.10 0.00 0.00 41.96 41.17 2vae s TYR 151 CO 0.17 -0.64 0.86 -1.25 -2.51 0.00 0.00 175.55 172.19 2vae s PRO 152 N -2.46 4.59 -0.27 -3.49 0.04 -1.26 -1.07 135.00 131.08 2vae s PRO 152 Ca -0.02 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.09 2vae s PRO 152 Cb -0.01 -3.04 0.08 0.00 0.04 0.00 0.00 34.50 31.57 2vae s PRO 152 CO -0.03 0.43 0.67 0.50 0.04 0.00 0.00 177.00 178.61 2vae s ARG 153 N -1.62 0.70 -1.49 4.56 3.52 -0.19 -4.93 118.95 119.50 2vae s ARG 153 Ca 0.43 1.16 -0.03 0.00 -0.13 0.00 0.00 55.73 57.17 2vae s ARG 153 Cb -0.21 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 2vae s ARG 153 CO 0.26 -0.14 0.33 -3.47 -0.81 0.00 0.00 175.30 171.47 2vae n ASP 154 N 4.09 -5.60 0.00 -2.12 -0.08 -1.26 -1.63 116.55 109.95 2vae n ASP 154 Ca -0.19 -0.16 0.00 0.00 -1.51 0.00 0.00 54.79 52.92 2vae n ASP 154 Cb 0.58 -4.51 0.00 0.00 2.34 0.00 0.00 41.12 39.53 2vae n ASP 154 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2vae n GLY 155 N -1.28 0.44 3.55 0.27 0.00 -1.26 -5.00 105.19 101.91 2vae n GLY 155 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 2vae n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vae s VAL 156 N -2.00 0.68 -0.13 1.61 -7.23 -0.65 -4.94 120.40 107.74 2vae s VAL 156 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2vae s VAL 156 Cb 0.00 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 2vae s VAL 156 CO 0.00 0.00 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.55 2vae s LEU 157 N -3.65 3.36 0.17 1.32 2.96 -0.94 -1.02 118.68 120.90 2vae s LEU 157 Ca 0.21 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.17 2vae s LEU 157 Cb 0.02 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2vae s LEU 157 CO 0.13 0.24 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.69 2vae s LYS 158 N -0.04 1.28 -0.01 1.98 1.02 -0.23 -0.59 119.74 123.15 2vae s LYS 158 Ca 0.02 -1.44 -0.24 0.00 0.02 0.00 0.00 55.97 54.33 2vae s LYS 158 Cb -0.13 -1.28 0.05 0.00 -0.52 0.00 0.00 37.83 35.95 2vae s LYS 158 CO 0.02 0.25 0.52 0.20 -0.92 0.00 0.00 175.35 175.42 2vae s GLY 159 N -2.80 -0.40 0.07 -3.33 0.00 -0.63 -1.24 107.32 98.98 2vae s GLY 159 Ca 0.17 0.80 0.03 0.00 0.00 0.00 0.00 44.72 45.72 2vae s GLY 159 CO 0.07 0.50 -0.09 -0.54 0.00 0.00 0.00 173.10 173.04 2vae s GLU 160 N -1.61 0.68 -0.06 2.90 8.01 -0.36 -0.28 118.70 127.99 2vae s GLU 160 Ca -0.10 -0.97 -0.04 0.00 0.01 0.00 0.00 54.97 53.87 2vae s GLU 160 Cb -0.02 -0.39 0.02 0.00 -4.31 0.00 0.00 34.13 29.43 2vae s GLU 160 CO 0.05 0.06 0.15 0.42 0.01 0.00 0.00 175.26 175.95 2vae s ILE 161 N -1.98 -0.02 -0.56 -1.63 1.01 -0.44 -0.81 121.20 116.77 2vae s ILE 161 Ca -0.02 0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 2vae s ILE 161 Cb -0.06 -0.23 0.08 0.00 0.01 0.00 0.00 42.46 42.27 2vae s ILE 161 CO -0.00 0.02 0.70 -1.00 0.00 0.00 0.00 174.94 174.66 2vae s HIS 162 N 0.43 2.98 0.43 3.97 3.76 -1.26 -0.51 115.29 125.09 2vae s HIS 162 Ca -0.03 -0.72 0.08 0.00 -0.15 0.00 0.00 55.06 54.23 2vae s HIS 162 Cb -0.04 -3.85 -0.00 0.00 1.11 0.00 0.00 32.58 29.79 2vae s HIS 162 CO -0.02 -1.23 0.47 0.15 -0.85 0.00 0.00 174.74 173.26 2vae s LYS 163 N 2.83 2.64 -0.17 1.40 1.02 0.17 -4.79 119.74 122.84 2vae s LYS 163 Ca 0.14 -1.43 -0.10 0.00 0.02 0.00 0.00 55.97 54.60 2vae s LYS 163 Cb -0.21 -2.53 0.06 0.00 -0.52 0.00 0.00 37.83 34.62 2vae s LYS 163 CO 0.09 -0.25 0.42 0.00 -0.92 0.00 0.00 175.35 174.69 2vae s ALA 164 N -2.44 -1.07 -0.07 5.17 0.00 -1.26 -1.86 121.76 120.23 2vae s ALA 164 Ca 0.51 1.50 -0.18 0.00 0.00 0.00 0.00 51.96 53.79 2vae s ALA 164 Cb -0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 2vae s ALA 164 CO 0.30 -0.26 0.49 -0.51 0.00 0.00 0.00 175.76 175.79 2vae s LEU 165 N 1.22 4.34 0.17 0.00 1.43 0.16 -1.22 118.68 124.78 2vae s LEU 165 Ca -0.08 0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 2vae s LEU 165 Cb -0.07 -2.73 -0.07 0.00 0.03 0.00 0.00 46.19 43.34 2vae s LEU 165 CO -0.11 0.07 1.11 -0.54 0.23 0.00 0.00 176.35 177.12 2vae s LYS 166 N 0.18 4.57 0.05 1.70 1.02 -0.03 -0.43 119.74 126.79 2vae s LYS 166 Ca 0.27 1.73 -0.14 0.00 0.02 0.00 0.00 55.97 57.85 2vae s LYS 166 Cb -0.16 -3.28 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 2vae s LYS 166 CO 0.12 0.03 0.45 -0.51 -0.92 0.00 0.00 175.35 174.52 2vae s LEU 167 N -0.23 4.43 0.26 3.17 1.43 -0.52 -0.09 118.68 127.14 2vae s LEU 167 Ca 0.50 0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 54.55 2vae s LEU 167 Cb -0.30 -2.82 0.48 0.00 0.03 0.00 0.00 46.19 43.58 2vae s LEU 167 CO 0.34 0.25 1.78 0.11 0.23 0.00 0.00 176.35 179.06 2vae h LYS 168 N 4.26 0.67 -0.91 1.70 1.57 -1.25 -0.20 116.57 122.42 2vae h LYS 168 Ca -0.50 -0.04 -0.47 0.00 -1.87 0.00 0.00 60.65 57.77 2vae h LYS 168 Cb 1.21 -0.15 -0.28 0.00 0.08 0.00 0.00 32.23 33.09 2vae h LYS 168 CO 0.63 0.44 0.55 -0.25 -0.57 0.00 0.00 179.45 180.26 2vae n ASP 169 N -4.82 3.60 0.00 0.86 8.00 -1.26 -5.01 116.55 117.92 2vae n ASP 169 Ca 0.16 -3.62 0.00 0.00 0.71 0.00 0.00 54.79 52.03 2vae n ASP 169 Cb 0.37 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 -1.12 1.22 1.60 0.44 0.00 -0.09 -5.12 105.19 102.13 2vae n GLY 170 Ca 0.56 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 1.19 -2.67 3.20 -0.02 0.00 -1.26 -4.50 105.19 101.12 2vae n GLY 171 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.62 1.19 -0.17 1.61 3.76 -1.26 -1.43 115.29 118.37 2vae s HIS 172 Ca 0.00 -0.61 0.01 0.00 -0.15 0.00 0.00 55.06 54.31 2vae s HIS 172 Cb 0.00 -0.64 0.03 0.00 1.11 0.00 0.00 32.58 33.08 2vae s HIS 172 CO 0.00 0.06 -0.13 -0.47 -0.85 0.00 0.00 174.74 173.35 2vae s TYR 173 N -2.27 2.34 0.10 1.40 5.04 0.42 -4.91 117.35 119.47 2vae s TYR 173 Ca 0.06 -1.43 -0.15 0.00 -2.44 0.00 0.00 57.07 53.12 2vae s TYR 173 Cb -0.04 -1.65 -0.06 0.00 0.35 0.00 0.00 41.96 40.56 2vae s TYR 173 CO 0.01 -0.72 0.51 -0.51 -1.34 0.00 0.00 175.55 173.50 2vae s LEU 174 N 1.43 4.40 -0.05 6.97 1.43 -1.26 -0.66 118.68 130.93 2vae s LEU 174 Ca 0.02 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2vae s LEU 174 Cb -0.14 -3.03 0.04 0.00 0.03 0.00 0.00 46.19 43.09 2vae s LEU 174 CO -0.10 0.19 0.11 -0.69 0.23 0.00 0.00 176.35 176.09 2vae s VAL 175 N -1.31 -0.07 -0.18 -1.59 1.01 -0.78 -1.24 120.40 116.25 2vae s VAL 175 Ca 0.33 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 2vae s VAL 175 Cb -0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 2vae s VAL 175 CO 0.18 0.09 0.23 -0.70 0.00 0.00 0.00 175.10 174.90 2vae s GLU 176 N 1.24 4.22 -0.12 2.72 2.12 -0.22 -0.65 118.70 128.00 2vae s GLU 176 Ca -0.08 -0.04 -0.05 0.00 0.36 0.00 0.00 54.97 55.16 2vae s GLU 176 Cb -0.12 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 2vae s GLU 176 CO -0.05 0.23 0.09 -0.06 -0.54 0.00 0.00 175.26 174.93 2vae s PHE 177 N 0.52 3.42 -0.11 5.30 0.40 0.34 -1.08 117.98 126.76 2vae s PHE 177 Ca 0.13 0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 2vae s PHE 177 Cb -0.12 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.52 2vae s PHE 177 CO 0.02 0.58 -0.10 0.15 0.70 0.00 0.00 175.22 176.57 2vae s LYS 178 N -0.80 1.74 0.17 0.44 1.02 -0.13 -1.32 119.74 120.85 2vae s LYS 178 Ca 0.13 -0.35 0.11 0.00 0.02 0.00 0.00 55.97 55.88 2vae s LYS 178 Cb -0.12 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2vae s LYS 178 CO 0.03 -0.22 -0.25 -1.12 -0.92 0.00 0.00 175.35 172.87 2vae s SER 179 N 1.51 3.37 -0.05 2.83 0.01 0.61 -0.78 113.70 121.19 2vae s SER 179 Ca 0.02 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 56.46 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 -0.07 0.14 -0.04 -0.63 0.41 0.00 0.00 173.24 173.05 2vae s ILE 180 N -1.46 0.53 -0.18 1.44 1.09 -0.09 -1.61 121.20 120.91 2vae s ILE 180 Ca 0.18 -0.09 -0.01 0.00 -1.10 0.00 0.00 60.65 59.64 2vae s ILE 180 Cb -0.09 -0.58 0.00 0.00 -1.06 0.00 0.00 42.46 40.74 2vae s ILE 180 CO 0.08 0.24 -0.14 -0.31 -0.10 0.00 0.00 174.94 174.71 2vae s TYR 181 N 1.14 2.83 -0.38 3.97 2.02 0.24 -0.81 117.35 126.36 2vae s TYR 181 Ca -0.07 -1.24 0.03 0.00 -0.37 0.00 0.00 57.07 55.41 2vae s TYR 181 Cb -0.14 -1.96 0.11 0.00 -0.40 0.00 0.00 41.96 39.57 2vae s TYR 181 CO -0.01 -0.62 0.13 -1.64 -1.57 0.00 0.00 175.55 171.84 2vae s MET 182 N 1.17 1.38 0.59 -0.62 -1.94 0.84 -2.20 119.30 118.52 2vae s MET 182 Ca 0.02 -1.87 -0.19 0.00 -1.71 0.00 0.00 55.69 51.93 2vae s MET 182 Cb -0.14 -2.85 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 2vae s MET 182 CO -0.06 -1.01 1.26 0.00 -0.01 0.00 0.00 175.02 175.20 2vae s ALA 183 N 0.75 2.57 0.08 3.03 0.00 -1.26 -0.83 121.76 126.10 2vae s ALA 183 Ca 0.13 1.13 0.23 0.00 0.00 0.00 0.00 51.96 53.45 2vae s ALA 183 Cb -0.21 -3.50 0.83 0.00 0.00 0.00 0.00 23.12 20.24 2vae s ALA 183 CO -0.09 -1.30 1.79 0.87 0.00 0.00 0.00 175.76 177.03 2vae h LYS 184 N 0.97 0.00 -6.05 0.00 1.57 -1.59 -3.43 116.57 108.05 2vae h LYS 184 Ca -0.51 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.72 2vae h LYS 184 Cb 1.31 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.45 2vae h LYS 184 CO 0.55 0.24 -0.78 0.15 -0.57 0.00 0.00 179.45 179.04 2vae s LYS 185 N -3.57 1.38 -1.09 3.15 -0.14 -1.26 -5.06 119.74 113.15 2vae s LYS 185 Ca 0.01 -1.50 -0.13 0.00 -1.36 0.00 0.00 55.97 52.99 2vae s LYS 185 Cb 0.10 -1.46 -0.07 0.00 -1.68 0.00 0.00 37.83 34.72 2vae s LYS 185 CO 0.65 0.29 2.22 -2.30 -0.76 0.00 0.00 175.35 175.44 2vae n PRO 186 N 0.08 2.32 -1.15 -1.68 -0.02 -1.26 -4.94 135.00 128.35 2vae n PRO 186 Ca -0.11 -1.92 -0.29 0.00 -2.02 0.00 0.00 63.50 59.15 2vae n PRO 186 Cb 0.58 -2.82 0.17 0.00 -0.02 0.00 0.00 33.50 31.40 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 3.67 2.28 0.36 -1.45 -7.23 -1.26 -4.92 120.40 111.84 2vae s VAL 187 Ca 0.52 0.09 -0.28 0.00 -1.81 0.00 0.00 61.98 60.50 2vae s VAL 187 Cb 0.14 -2.55 -0.10 0.00 0.56 0.00 0.00 36.38 34.43 2vae s VAL 187 CO -0.00 -0.12 1.27 -1.58 -0.31 0.00 0.00 175.10 174.36 2vae s GLN 188 N -4.93 4.23 0.08 4.82 0.74 -1.26 -5.00 119.66 118.34 2vae s GLN 188 Ca 0.65 2.11 -0.02 0.00 0.05 0.00 0.00 55.36 58.15 2vae s GLN 188 Cb -0.19 -2.94 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 2vae s GLN 188 CO 0.58 -0.26 0.27 -0.51 -0.55 0.00 0.00 175.29 174.82 2vae s LEU 189 N -2.04 4.33 0.91 3.68 1.43 -1.26 -4.29 118.68 121.43 2vae s LEU 189 Ca 0.52 0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 53.88 2vae s LEU 189 Cb -0.37 -3.06 0.17 0.00 0.03 0.00 0.00 46.19 42.96 2vae s LEU 189 CO 0.49 0.14 1.26 -2.16 0.23 0.00 0.00 176.35 176.31 2vae s PRO 190 N -2.50 1.03 0.00 1.29 0.04 -1.26 -4.78 135.00 128.81 2vae s PRO 190 Ca 0.36 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2vae s PRO 190 Cb -0.13 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2vae s PRO 190 CO 0.26 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.56 2vae n GLY 191 N -3.59 1.65 3.68 0.56 0.00 -1.26 -4.22 105.19 102.01 2vae n GLY 191 Ca 0.13 -1.80 -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 2.24 2.89 0.33 1.61 5.04 -1.26 -4.38 117.35 123.82 2vae s TYR 192 Ca 0.00 0.91 -0.13 0.00 -2.44 0.00 0.00 57.07 55.41 2vae s TYR 192 Cb 0.00 -3.59 0.05 0.00 0.35 0.00 0.00 41.96 38.77 2vae s TYR 192 CO 0.00 -2.14 0.67 2.48 -1.34 0.00 0.00 175.55 175.22 2vae n TYR 193 N 5.60 -2.15 -4.22 4.97 4.11 -0.65 -4.85 117.16 119.97 2vae n TYR 193 Ca 0.13 -1.56 -0.19 0.00 -0.00 0.00 0.00 57.90 56.27 2vae n TYR 193 Cb 0.44 0.78 -0.12 0.00 -0.00 0.00 0.00 39.34 40.45 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 -3.23 1.38 -0.12 -3.48 1.51 -0.43 -0.66 117.35 112.32 2vae s TYR 194 Ca 0.13 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2vae s TYR 194 Cb -0.04 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.08 2vae s TYR 194 CO 0.10 0.12 -0.10 0.08 -1.11 0.00 0.00 175.55 174.63 2vae s VAL 195 N -1.61 1.22 -0.04 0.71 1.01 -0.45 -0.89 120.40 120.35 2vae s VAL 195 Ca 0.04 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 2vae s VAL 195 Cb -0.08 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 2vae s VAL 195 CO 0.03 0.40 0.61 -1.81 0.00 0.00 0.00 175.10 174.33 2vae s ASP 196 N 1.55 6.94 0.08 3.32 1.01 -0.48 -0.68 116.67 128.41 2vae s ASP 196 Ca 0.03 1.12 0.03 0.00 0.71 0.00 0.00 52.55 54.44 2vae s ASP 196 Cb -0.13 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2vae s ASP 196 CO -0.08 0.01 -0.09 -0.44 0.21 0.00 0.00 175.17 174.78 2vae s SER 197 N 0.27 1.21 -0.16 0.27 0.01 -0.46 -1.07 113.70 113.77 2vae s SER 197 Ca 0.32 -0.78 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 2vae s SER 197 Cb -0.18 0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.16 2vae s SER 197 CO 0.17 -0.29 0.22 -0.75 0.41 0.00 0.00 173.24 173.00 2vae s LYS 198 N -2.66 0.14 -0.17 12.44 2.20 -0.04 -1.07 119.74 130.59 2vae s LYS 198 Ca 0.02 0.43 -0.04 0.00 -0.36 0.00 0.00 55.97 56.02 2vae s LYS 198 Cb -0.03 -0.68 -0.03 0.00 -1.51 0.00 0.00 37.83 35.58 2vae s LYS 198 CO -0.01 -0.48 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.32 2vae s LEU 199 N 2.34 3.32 -0.03 5.43 2.96 -1.26 -1.67 118.68 129.77 2vae s LEU 199 Ca 0.05 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2vae s LEU 199 Cb -0.14 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2vae s LEU 199 CO -0.10 0.15 -0.20 -1.81 -1.32 0.00 0.00 176.35 173.07 2vae s ASP 200 N 0.50 2.40 -0.31 3.68 1.01 0.56 -4.54 116.67 119.97 2vae s ASP 200 Ca -0.02 -0.38 -0.25 0.00 0.71 0.00 0.00 52.55 52.61 2vae s ASP 200 Cb -0.14 -0.44 0.01 0.00 1.01 0.00 0.00 42.92 43.35 2vae s ASP 200 CO 0.02 0.22 0.85 -0.63 0.21 0.00 0.00 175.17 175.85 2vae s ILE 201 N -0.28 4.72 -0.13 0.77 -1.09 -1.26 -0.81 121.20 123.13 2vae s ILE 201 Ca 0.03 1.29 0.21 0.00 -2.23 0.00 0.00 60.65 59.95 2vae s ILE 201 Cb -0.10 -4.21 -0.19 0.00 -1.58 0.00 0.00 42.46 36.38 2vae s ILE 201 CO 0.01 -0.31 0.68 0.35 -1.23 0.00 0.00 174.94 174.43 2vae n THR 202 N 5.63 0.58 -3.61 2.92 -2.24 -0.02 -4.98 114.28 112.56 2vae n THR 202 Ca 0.06 -0.59 -0.05 0.00 -2.27 0.00 0.00 64.05 61.19 2vae n THR 202 Cb 0.48 -0.30 -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 -5.13 -0.24 -0.11 3.42 1.04 -1.21 -5.00 113.70 106.45 2vae s SER 203 Ca -0.05 -0.15 -0.31 0.00 0.48 0.00 0.00 55.95 55.93 2vae s SER 203 Cb 0.11 0.36 0.12 0.00 0.10 0.00 0.00 66.02 66.71 2vae s SER 203 CO 0.84 -0.63 1.02 -1.38 0.98 0.00 0.00 173.24 174.08 2vae s HIS 204 N -3.01 -0.29 0.83 5.02 -0.00 -1.26 -0.95 115.29 115.63 2vae s HIS 204 Ca 0.09 0.31 -0.11 0.00 -0.00 0.00 0.00 55.06 55.36 2vae s HIS 204 Cb -0.00 0.50 0.13 0.00 -0.00 0.00 0.00 32.58 33.21 2vae s HIS 204 CO -0.04 -0.37 1.17 0.54 -0.00 0.00 0.00 174.74 176.04 2vae s ASN 205 N -1.88 4.01 0.26 7.38 2.20 -0.67 -4.96 114.94 121.29 2vae s ASN 205 Ca 0.04 0.33 -0.03 0.00 -0.94 0.00 0.00 52.86 52.26 2vae s ASN 205 Cb -0.01 -0.67 0.40 0.00 -2.00 0.00 0.00 41.25 38.97 2vae s ASN 205 CO -0.04 -2.15 1.87 -0.08 -2.94 0.00 0.00 177.10 173.75 2vae h GLU 206 N -1.10 1.07 -0.69 3.55 4.57 -2.02 -2.25 114.58 117.72 2vae h GLU 206 Ca -0.44 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2vae h GLU 206 Cb 1.28 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2vae h GLU 206 CO 0.50 0.71 0.00 -0.40 -1.18 0.00 0.00 179.01 178.64 2vae n ASP 207 N -4.54 4.41 -2.86 1.04 5.68 -1.26 -4.95 116.55 114.07 2vae n ASP 207 Ca 0.15 -2.24 -0.22 0.00 -0.50 0.00 0.00 54.79 51.98 2vae n ASP 207 Cb 0.20 -0.54 0.02 0.00 -1.14 0.00 0.00 41.12 39.66 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 1.37 -1.71 0.45 2.11 4.02 -0.85 -4.42 117.16 118.13 2vae n TYR 208 Ca 0.25 0.38 0.12 0.00 -0.01 0.00 0.00 57.90 58.64 2vae n TYR 208 Cb 0.77 -4.35 0.11 0.00 -0.02 0.00 0.00 39.34 35.85 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 -1.01 0.00 -3.35 -0.72 1.35 -1.93 -3.45 112.91 103.81 2vae h THR 209 Ca -0.52 -0.62 -0.44 0.00 -0.55 0.00 0.00 66.41 64.27 2vae h THR 209 Cb 1.37 1.16 -0.36 0.00 -1.73 0.00 0.00 68.15 68.59 2vae h THR 209 CO 0.58 0.00 -0.78 -0.63 -0.25 0.00 0.00 175.52 174.44 2vae s ILE 210 N -3.22 0.60 -0.00 6.82 1.01 -1.26 -0.98 121.20 124.17 2vae s ILE 210 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2vae s ILE 210 Cb 0.12 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.93 2vae s ILE 210 CO 0.75 0.27 -0.01 -0.69 0.00 0.00 0.00 174.94 175.25 2vae s VAL 211 N 1.36 0.11 -0.00 2.92 1.01 -0.44 -1.67 120.40 123.69 2vae s VAL 211 Ca -0.04 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.95 2vae s VAL 211 Cb -0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2vae s VAL 211 CO -0.03 0.03 -0.20 -1.61 0.00 0.00 0.00 175.10 173.30 2vae s GLU 212 N -0.02 2.20 0.15 2.72 2.02 -0.13 -0.60 118.70 125.04 2vae s GLU 212 Ca 0.00 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.17 2vae s GLU 212 Cb -0.01 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 2vae s GLU 212 CO -0.00 0.57 -0.14 -0.65 0.02 0.00 0.00 175.26 175.06 2vae s GLN 213 N -0.97 1.11 0.00 1.61 -0.21 0.21 -0.84 119.66 120.57 2vae s GLN 213 Ca 0.12 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 54.15 2vae s GLN 213 Cb -0.10 -0.93 -0.00 0.00 1.00 0.00 0.00 33.01 32.97 2vae s GLN 213 CO 0.02 0.17 -0.03 -0.47 -2.12 0.00 0.00 175.29 172.85 2vae s TYR 214 N -2.52 0.25 -0.01 0.91 5.04 0.01 -1.49 117.35 119.55 2vae s TYR 214 Ca 0.14 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.70 2vae s TYR 214 Cb -0.03 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.12 2vae s TYR 214 CO 0.04 -0.01 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.19 2vae s GLU 215 N -0.17 0.36 -0.08 4.97 2.12 -0.15 -0.32 118.70 125.42 2vae s GLU 215 Ca -0.00 -0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.23 2vae s GLU 215 Cb -0.02 -0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.00 2vae s GLU 215 CO -0.00 0.07 -0.18 0.50 -0.54 0.00 0.00 175.26 175.10 2vae s ARG 216 N 0.03 2.88 -0.13 4.30 3.52 -0.67 -1.76 118.95 127.13 2vae s ARG 216 Ca 0.00 -0.77 -0.12 0.00 -0.13 0.00 0.00 55.73 54.71 2vae s ARG 216 Cb -0.03 -2.39 0.03 0.00 -1.56 0.00 0.00 34.95 31.00 2vae s ARG 216 CO -0.00 0.37 0.34 0.00 -0.81 0.00 0.00 175.30 175.19 2vae s ALA 217 N -0.08 -0.84 -0.08 6.12 0.00 0.06 -0.86 121.76 126.08 2vae s ALA 217 Ca -0.04 0.97 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 2vae s ALA 217 Cb -0.14 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.45 2vae s ALA 217 CO 0.04 -0.16 0.19 -1.21 0.00 0.00 0.00 175.76 174.62 2vae s GLU 218 N 0.23 0.17 0.23 0.00 2.02 -0.23 -2.13 118.70 118.99 2vae s GLU 218 Ca -0.00 0.38 -0.16 0.00 0.02 0.00 0.00 54.97 55.20 2vae s GLU 218 Cb -0.03 -0.06 -0.08 0.00 0.10 0.00 0.00 34.13 34.07 2vae s GLU 218 CO -0.00 -0.11 0.67 0.20 0.02 0.00 0.00 175.26 176.03 2vae s GLY 219 N 0.80 2.48 0.19 -1.39 0.00 0.14 -1.39 107.32 108.15 2vae s GLY 219 Ca -0.06 0.02 -0.22 0.00 0.00 0.00 0.00 44.72 44.46 2vae s GLY 219 CO -0.04 0.30 0.62 1.09 0.00 0.00 0.00 173.10 175.07 2vae s ARG 220 N -2.28 1.40 0.78 2.90 1.70 -0.06 -4.32 118.95 119.07 2vae s ARG 220 Ca 0.45 -0.63 -0.11 0.00 -0.47 0.00 0.00 55.73 54.96 2vae s ARG 220 Cb -0.14 0.59 0.06 0.00 -0.57 0.00 0.00 34.95 34.88 2vae s ARG 220 CO 0.20 -0.62 1.09 -1.01 -1.08 0.00 0.00 175.30 173.88 2vae s HIS 221 N -3.80 2.88 0.36 5.89 3.76 -1.26 -1.31 115.29 121.80 2vae s HIS 221 Ca 0.04 1.19 -0.26 0.00 -0.15 0.00 0.00 55.06 55.88 2vae s HIS 221 Cb -0.02 -3.09 -0.13 0.00 1.11 0.00 0.00 32.58 30.46 2vae s HIS 221 CO -0.08 -1.68 0.90 1.58 -0.85 0.00 0.00 174.74 174.61 2vae n HIS 222 N -3.38 0.83 0.30 1.40 -0.00 -1.26 -4.81 115.22 108.31 2vae n HIS 222 Ca 0.07 0.64 0.18 0.00 0.46 0.00 0.00 57.72 59.07 2vae n HIS 222 Cb 0.56 -2.18 0.81 0.00 -0.12 0.00 0.00 29.99 29.06 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 1.55 0.00 -1.41 0.27 3.38 -2.04 -2.50 115.31 114.56 2vae h LEU 223 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 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 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.59 2vae n PHE 224 N -2.91 0.31 1.40 1.13 0.99 -1.26 -5.32 117.46 111.79 2vae n PHE 224 Ca -0.00 -0.15 0.14 0.00 -0.00 0.00 0.00 57.45 57.43 2vae n PHE 224 Cb 0.21 0.00 0.44 0.00 -1.00 0.00 0.00 39.48 39.13 2vae n PHE 224 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04