#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vae s SER 2 N 0.00 5.92 0.49 1.61 0.01 -1.26 -5.07 113.70 115.40 1vae s SER 2 Ca 0.00 0.24 -0.21 0.00 1.31 0.00 0.00 55.95 57.29 1vae s SER 2 Cb 0.00 -1.56 -0.07 0.00 0.21 0.00 0.00 66.02 64.60 1vae s SER 2 CO 0.00 -0.60 1.13 -0.44 0.41 0.00 0.00 173.24 173.73 1vae s SER 3 N -4.18 6.07 -0.03 2.44 0.01 -1.26 -5.04 113.70 111.71 1vae s SER 3 Ca 0.47 2.19 -0.30 0.00 1.31 0.00 0.00 55.95 59.62 1vae s SER 3 Cb -0.10 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.61 1vae s SER 3 CO 0.37 -0.98 0.66 -0.83 0.41 0.00 0.00 173.24 172.87 1vae s GLY 4 N -1.60 -0.57 -0.01 3.44 0.00 -1.26 -5.18 107.32 102.14 1vae s GLY 4 Ca 0.67 1.21 -0.28 0.00 0.00 0.00 0.00 44.72 46.32 1vae s GLY 4 CO 0.29 0.86 0.78 -0.45 0.00 0.00 0.00 173.10 174.58 1vae s SER 5 N -1.36 -0.50 -0.12 1.64 0.15 -1.26 -5.18 113.70 107.08 1vae s SER 5 Ca -0.10 0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.70 1vae s SER 5 Cb -0.00 0.47 0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1vae s SER 5 CO 0.07 -0.65 0.38 -0.44 1.20 0.00 0.00 173.24 173.81 1vae s SER 6 N -1.89 -0.37 -0.34 5.45 0.01 -1.26 -5.12 113.70 110.18 1vae s SER 6 Ca -0.02 0.64 -0.01 0.00 1.31 0.00 0.00 55.95 57.87 1vae s SER 6 Cb -0.01 0.69 0.12 0.00 0.21 0.00 0.00 66.02 67.04 1vae s SER 6 CO -0.02 -0.20 0.17 -0.83 0.41 0.00 0.00 173.24 172.77 1vae s GLY 7 N -0.12 0.89 -0.02 3.44 0.00 -1.26 -5.11 107.32 105.13 1vae s GLY 7 Ca -0.03 -1.70 0.05 0.00 0.00 0.00 0.00 44.72 43.04 1vae s GLY 7 CO 0.01 1.94 -0.16 -1.35 0.00 0.00 0.00 173.10 173.54 1vae s SER 8 N 1.36 1.96 -0.50 1.64 1.04 -1.26 -5.10 113.70 112.84 1vae s SER 8 Ca 0.14 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 1vae s SER 8 Cb -0.20 -0.28 0.10 0.00 0.10 0.00 0.00 66.02 65.73 1vae s SER 8 CO -0.14 0.19 0.43 0.00 0.98 0.00 0.00 173.24 174.70 1vae s ALA 9 N -0.30 3.59 -0.36 5.32 0.00 -1.26 -4.96 121.76 123.79 1vae s ALA 9 Ca 0.04 -2.28 0.05 0.00 0.00 0.00 0.00 51.96 49.77 1vae s ALA 9 Cb -0.07 -3.13 0.17 0.00 0.00 0.00 0.00 23.12 20.08 1vae s ALA 9 CO -0.00 -1.84 0.48 0.45 0.00 0.00 0.00 175.76 174.85 1vae s SER 10 N 2.97 -0.08 0.00 0.00 0.15 -1.26 -5.13 113.70 110.36 1vae s SER 10 Ca 0.04 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1vae s SER 10 Cb -0.26 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1vae s SER 10 CO 0.05 -0.25 0.00 0.29 1.20 0.00 0.00 173.24 174.53 1vae n LYS 11 N 4.59 0.00 -4.82 5.44 5.02 -1.26 -4.58 118.16 122.55 1vae n LYS 11 Ca 0.09 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.09 1vae n LYS 11 Cb 0.51 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.35 1vae n LYS 11 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1vae s ARG 12 N 0.00 2.46 -0.07 1.97 0.52 -1.19 -5.08 118.95 117.56 1vae s ARG 12 Ca 0.00 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1vae s ARG 12 Cb 0.00 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.53 1vae s ARG 12 CO 0.00 0.07 -0.11 -1.58 0.02 0.00 0.00 175.30 173.69 1vae s TRP 13 N 0.62 1.43 1.45 -0.53 0.52 -1.26 -0.89 118.94 120.27 1vae s TRP 13 Ca -0.14 -0.55 -0.24 0.00 0.02 0.00 0.00 56.10 55.20 1vae s TRP 13 Cb -0.16 -1.07 0.37 0.00 -1.15 0.00 0.00 33.47 31.46 1vae s TRP 13 CO 0.04 -0.30 0.91 -1.54 0.02 0.00 0.00 176.95 176.08 1vae s SER 14 N 0.80 -1.30 0.43 2.95 1.04 -0.97 -4.95 113.70 111.71 1vae s SER 14 Ca -0.12 0.84 -0.22 0.00 0.48 0.00 0.00 55.95 56.93 1vae s SER 14 Cb -0.15 -1.18 -0.09 0.00 0.10 0.00 0.00 66.02 64.69 1vae s SER 14 CO 0.02 -5.51 1.05 -2.16 0.98 0.00 0.00 173.24 167.62 1vae s PRO 15 N -5.08 4.01 0.23 4.02 0.04 -1.26 -4.60 135.00 132.36 1vae s PRO 15 Ca 0.68 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 1vae s PRO 15 Cb -0.13 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 1vae s PRO 15 CO 0.58 -0.27 1.10 -1.25 0.04 0.00 0.00 177.00 177.20 1vae s PRO 16 N -2.80 4.63 0.28 0.56 0.04 -1.26 -4.66 135.00 131.80 1vae s PRO 16 Ca 0.62 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.46 1vae s PRO 16 Cb -0.20 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1vae s PRO 16 CO 0.25 0.16 0.42 -0.98 0.04 0.00 0.00 177.00 176.89 1vae s ARG 17 N -0.95 3.37 -0.33 4.56 1.70 -0.54 -4.89 118.95 121.87 1vae s ARG 17 Ca 0.47 -0.75 -0.09 0.00 -0.47 0.00 0.00 55.73 54.89 1vae s ARG 17 Cb -0.31 -2.83 0.02 0.00 -0.57 0.00 0.00 34.95 31.26 1vae s ARG 17 CO 0.38 0.29 0.14 0.20 -1.08 0.00 0.00 175.30 175.24 1vae s GLY 18 N -4.04 1.86 0.14 3.88 0.00 -1.26 -3.52 107.32 104.38 1vae s GLY 18 Ca 0.38 -1.59 0.03 0.00 0.00 0.00 0.00 44.72 43.54 1vae s GLY 18 CO 0.31 0.75 0.18 -0.42 0.00 0.00 0.00 173.10 173.92 1vae s ILE 19 N 1.52 4.86 -0.17 0.90 1.01 -0.74 -4.99 121.20 123.60 1vae s ILE 19 Ca 0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 1vae s ILE 19 Cb -0.18 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 38.89 1vae s ILE 19 CO 0.05 -0.04 0.09 -1.38 0.00 0.00 0.00 174.94 173.66 1vae s HIS 20 N -1.67 0.17 0.29 3.97 -3.43 -1.26 -3.24 115.29 110.12 1vae s HIS 20 Ca 0.32 -0.26 -0.17 0.00 -0.80 0.00 0.00 55.06 54.15 1vae s HIS 20 Cb -0.11 -0.67 0.02 0.00 -1.43 0.00 0.00 32.58 30.39 1vae s HIS 20 CO 0.25 -0.50 0.65 -0.59 -2.00 0.00 0.00 174.74 172.55 1vae s PHE 21 N 2.15 0.10 -0.28 0.38 -0.71 -1.22 -4.70 117.98 113.70 1vae s PHE 21 Ca 0.02 -0.55 -0.04 0.00 -1.04 0.00 0.00 56.93 55.32 1vae s PHE 21 Cb -0.16 0.54 0.02 0.00 -1.21 0.00 0.00 43.02 42.21 1vae s PHE 21 CO -0.09 -1.22 0.02 0.99 -1.34 0.00 0.00 175.22 173.58 1vae s THR 22 N -3.62 3.44 1.03 -4.49 2.01 -1.26 -1.91 115.64 110.84 1vae s THR 22 Ca 0.16 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 61.07 1vae s THR 22 Cb -0.04 -2.80 0.05 0.00 0.01 0.00 0.00 72.50 69.72 1vae s THR 22 CO 0.09 0.08 0.10 0.52 -0.69 0.00 0.00 174.62 174.72 1vae n VAL 23 N 4.76 0.00 -3.67 3.82 0.31 -1.24 -4.79 118.33 117.52 1vae n VAL 23 Ca -0.15 -0.25 -0.29 0.00 -0.01 0.00 0.00 64.34 63.65 1vae n VAL 23 Cb 0.47 -0.57 -0.12 0.00 -0.91 0.00 0.00 33.84 32.71 1vae n VAL 23 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1vae s GLU 24 N -3.42 1.42 -0.75 5.55 2.02 -1.26 -2.37 118.70 119.88 1vae s GLU 24 Ca 0.55 -2.29 -0.05 0.00 0.02 0.00 0.00 54.97 53.21 1vae s GLU 24 Cb -0.16 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 1vae s GLU 24 CO 0.67 -1.24 1.93 -0.85 0.02 0.00 0.00 175.26 175.80 1vae n GLU 25 N 3.08 1.73 0.00 1.61 0.28 -1.26 -2.11 120.64 123.97 1vae n GLU 25 Ca 0.16 -1.28 0.00 0.00 -0.16 0.00 0.00 57.16 55.87 1vae n GLU 25 Cb 0.38 -2.36 0.00 0.00 1.43 0.00 0.00 31.44 30.88 1vae n GLU 25 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vae n GLY 26 N 3.77 0.15 3.09 -1.84 0.00 -1.26 -5.02 105.19 104.09 1vae n GLY 26 Ca 0.37 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.31 1vae n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vae s ASP 27 N -1.00 -1.08 0.26 1.61 -1.08 -0.90 -5.15 116.67 109.34 1vae s ASP 27 Ca 0.00 0.24 -0.19 0.00 -0.52 0.00 0.00 52.55 52.08 1vae s ASP 27 Cb 0.00 1.83 -0.09 0.00 -1.46 0.00 0.00 42.92 43.21 1vae s ASP 27 CO 0.00 -0.30 0.74 -0.76 0.52 0.00 0.00 175.17 175.37 1vae s LEU 28 N 2.76 4.25 -0.23 -1.34 1.43 -1.25 -4.73 118.68 119.57 1vae s LEU 28 Ca 0.13 1.40 0.07 0.00 -1.03 0.00 0.00 54.13 54.70 1vae s LEU 28 Cb -0.12 -3.77 0.53 0.00 0.03 0.00 0.00 46.19 42.86 1vae s LEU 28 CO -0.25 -0.05 1.49 0.61 0.23 0.00 0.00 176.35 178.38 1vae n GLY 29 N 0.37 3.07 3.66 -3.19 0.00 -1.26 -4.91 105.19 102.93 1vae n GLY 29 Ca -0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 1vae n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vae s PHE 30 N -2.27 -0.12 0.36 1.61 -0.12 -1.26 -2.15 117.98 114.03 1vae s PHE 30 Ca 0.39 -0.07 0.04 0.00 -0.05 0.00 0.00 56.93 57.24 1vae s PHE 30 Cb 0.31 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 43.25 1vae s PHE 30 CO 0.10 -0.53 0.16 -0.08 -0.05 0.00 0.00 175.22 174.81 1vae s THR 31 N -2.87 0.44 -0.13 -4.49 -1.32 -1.25 -4.94 115.64 101.08 1vae s THR 31 Ca 0.12 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.61 1vae s THR 31 Cb 0.01 -2.44 0.02 0.00 -1.51 0.00 0.00 72.50 68.57 1vae s THR 31 CO -0.02 0.00 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.46 1vae s LEU 32 N -3.49 1.83 0.17 9.08 1.43 -1.26 -2.59 118.68 123.85 1vae s LEU 32 Ca 0.31 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1vae s LEU 32 Cb 0.04 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1vae s LEU 32 CO 0.18 0.01 -0.18 -0.13 0.23 0.00 0.00 176.35 176.45 1vae s ARG 33 N 1.09 1.29 0.09 1.70 0.52 -1.26 -4.94 118.95 117.45 1vae s ARG 33 Ca -0.03 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1vae s ARG 33 Cb -0.14 -1.36 0.00 0.00 0.52 0.00 0.00 34.95 33.97 1vae s ARG 33 CO -0.05 0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.96 1vae n GLY 34 N 0.26 -1.80 0.19 -3.53 0.00 -1.26 -3.10 105.19 95.94 1vae n GLY 34 Ca -0.13 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 1vae n GLY 34 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vae n ASN 35 N 0.03 0.45 0.00 1.61 5.15 -1.26 -4.73 115.26 116.52 1vae n ASN 35 Ca 0.00 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1vae n ASN 35 Cb 0.00 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 1vae n ASN 35 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1vae n THR 36 N -2.95 0.00 -2.47 -0.44 5.66 -1.26 -4.17 114.28 108.64 1vae n THR 36 Ca -0.03 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.56 1vae n THR 36 Cb 0.11 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.86 1vae n THR 36 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1vae s PRO 37 N -1.12 4.51 0.60 1.09 0.04 -1.25 -5.03 135.00 133.83 1vae s PRO 37 Ca 0.00 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 1vae s PRO 37 Cb 0.00 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1vae s PRO 37 CO 0.00 -0.11 1.00 1.33 0.04 0.00 0.00 177.00 179.26 1vae n VAL 38 N 3.24 3.77 -3.42 -0.36 0.24 -1.26 -4.79 118.33 115.74 1vae n VAL 38 Ca 0.06 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 1vae n VAL 38 Cb 0.46 -1.19 0.01 0.00 -1.47 0.00 0.00 33.84 31.66 1vae n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vae n GLN 39 N -1.05 1.03 -4.00 7.34 6.02 -1.18 -2.35 117.38 123.19 1vae n GLN 39 Ca 0.14 -1.42 -0.31 0.00 -0.01 0.00 0.00 57.00 55.39 1vae n GLN 39 Cb 0.47 0.06 -0.15 0.00 1.02 0.00 0.00 30.24 31.64 1vae n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1vae s VAL 40 N -0.93 1.82 -1.09 5.09 1.01 0.28 -4.09 120.40 122.50 1vae s VAL 40 Ca 0.18 -1.41 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 1vae s VAL 40 Cb -0.01 -2.01 0.30 0.00 0.00 0.00 0.00 36.38 34.66 1vae s VAL 40 CO 0.11 -0.07 1.44 1.57 0.00 0.00 0.00 175.10 178.15 1vae n HIS 41 N 4.56 2.68 -1.27 5.22 -0.00 -1.07 -2.09 115.22 123.26 1vae n HIS 41 Ca -0.13 -2.77 -0.47 0.00 0.46 0.00 0.00 57.72 54.81 1vae n HIS 41 Cb 0.43 -1.33 -0.05 0.00 -0.12 0.00 0.00 29.99 28.92 1vae n HIS 41 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1vae n PHE 42 N 1.54 0.08 -0.05 1.57 3.72 -1.26 -3.84 117.46 119.21 1vae n PHE 42 Ca 0.26 0.89 -0.07 0.00 -0.05 0.00 0.00 57.45 58.48 1vae n PHE 42 Cb 0.34 -1.78 -0.05 0.00 -0.94 0.00 0.00 39.48 37.05 1vae n PHE 42 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1vae n LEU 43 N 1.53 2.70 -4.39 4.37 4.77 -0.92 -4.95 117.00 120.11 1vae n LEU 43 Ca 0.17 -0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 1vae n LEU 43 Cb 0.14 -0.33 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 1vae n LEU 43 CO 0.51 0.64 -0.49 -1.81 -1.33 0.00 0.00 177.39 174.92 1vae s ASP 44 N -4.99 3.72 0.15 -1.43 1.01 -1.15 -5.02 116.67 108.96 1vae s ASP 44 Ca -0.14 -0.32 -0.03 0.00 0.71 0.00 0.00 52.55 52.77 1vae s ASP 44 Cb 0.04 -0.94 -0.04 0.00 1.01 0.00 0.00 42.92 42.99 1vae s ASP 44 CO 0.27 0.29 1.36 1.55 0.21 0.00 0.00 175.17 178.84 1vae h PRO 45 N 5.78 0.39 -1.01 8.23 0.13 -1.94 -3.10 132.00 140.49 1vae h PRO 45 Ca -0.39 -0.38 -0.49 0.00 -0.87 0.00 0.00 66.00 63.87 1vae h PRO 45 Cb 1.17 0.10 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 1vae h PRO 45 CO 0.50 1.05 0.62 0.72 -0.23 0.00 0.00 178.00 180.66 1vae n HIS 46 N -3.77 2.84 0.00 1.56 8.25 -1.26 -4.57 115.22 118.26 1vae n HIS 46 Ca -0.06 -1.81 0.00 0.00 -0.26 0.00 0.00 57.72 55.59 1vae n HIS 46 Cb 0.79 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1vae n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vae n SER 48 N 0.00 0.00 -0.09 0.00 7.64 -1.26 -4.77 113.62 115.14 1vae n SER 48 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1vae n SER 48 Cb 0.00 0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 1vae n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vae h ALA 49 N 0.00 0.38 -0.50 -0.43 0.00 -1.93 0.01 119.26 116.78 1vae h ALA 49 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1vae h ALA 49 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1vae h ALA 49 CO 0.00 -0.11 0.27 1.03 0.00 0.00 0.00 179.25 180.44 1vae h SER 50 N 0.38 0.63 0.36 0.00 0.87 -1.89 -0.21 113.55 113.69 1vae h SER 50 Ca 0.11 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1vae h SER 50 Cb 0.03 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1vae h SER 50 CO -0.02 0.55 0.00 -0.07 -0.53 0.00 0.00 176.83 176.76 1vae h LEU 51 N 0.67 0.00 0.24 2.23 3.38 -1.71 -2.74 115.31 117.38 1vae h LEU 51 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1vae h LEU 51 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1vae h LEU 51 CO -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.39 1vae h ALA 52 N 2.01 -0.32 0.00 1.53 0.00 0.79 -3.48 119.26 119.79 1vae h ALA 52 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vae h ALA 52 Cb 0.18 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1vae h ALA 52 CO 0.00 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.34 1vae n GLY 53 N 0.84 0.00 3.41 0.00 0.00 -0.79 -4.74 105.19 103.91 1vae n GLY 53 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1vae n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vae s ALA 54 N 0.00 2.45 0.08 4.61 0.00 -1.16 -4.91 121.76 122.83 1vae s ALA 54 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1vae s ALA 54 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1vae s ALA 54 CO 0.00 0.52 0.04 1.63 0.00 0.00 0.00 175.76 177.95 1vae n LYS 55 N 0.76 1.54 -3.03 0.00 5.02 -1.26 -4.51 118.16 116.68 1vae n LYS 55 Ca -0.17 -0.57 -0.34 0.00 -2.02 0.00 0.00 58.31 55.22 1vae n LYS 55 Cb 0.54 0.10 -0.06 0.00 -0.02 0.00 0.00 35.03 35.58 1vae n LYS 55 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1vae s GLU 56 N -2.33 4.15 -0.97 1.97 2.02 -1.26 -3.71 118.70 118.57 1vae s GLU 56 Ca 0.03 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.88 1vae s GLU 56 Cb -0.00 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1vae s GLU 56 CO 0.02 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.89 1vae n GLY 57 N -0.12 0.85 3.68 -1.39 0.00 -0.89 -4.96 105.19 102.36 1vae n GLY 57 Ca 0.03 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1vae n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vae s ASP 58 N -2.82 6.89 -0.44 1.61 1.11 -1.24 -4.63 116.67 117.14 1vae s ASP 58 Ca 0.00 1.96 -0.17 0.00 0.18 0.00 0.00 52.55 54.52 1vae s ASP 58 Cb 0.00 -2.55 0.03 0.00 1.07 0.00 0.00 42.92 41.47 1vae s ASP 58 CO 0.00 -0.73 0.46 -0.31 1.18 0.00 0.00 175.17 175.77 1vae s TYR 59 N 2.88 3.16 0.16 4.23 1.51 -1.18 -0.55 117.35 127.55 1vae s TYR 59 Ca 0.61 -0.43 -0.31 0.00 -1.01 0.00 0.00 57.07 55.93 1vae s TYR 59 Cb -0.28 -3.00 -0.10 0.00 -0.11 0.00 0.00 41.96 38.47 1vae s TYR 59 CO 0.23 -0.75 1.66 0.42 -1.11 0.00 0.00 175.55 176.00 1vae s ILE 60 N 2.17 2.50 -0.11 2.71 1.01 -0.99 -2.82 121.20 125.68 1vae s ILE 60 Ca 0.12 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.10 1vae s ILE 60 Cb -0.18 -3.17 -0.11 0.00 0.01 0.00 0.00 42.46 39.01 1vae s ILE 60 CO 0.13 0.01 -0.02 1.33 0.00 0.00 0.00 174.94 176.40 1vae n VAL 61 N 4.21 0.69 -4.04 2.92 0.24 -0.30 -4.30 118.33 117.74 1vae n VAL 61 Ca 0.15 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.34 61.99 1vae n VAL 61 Cb 0.38 -0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 31.87 1vae n VAL 61 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1vae s SER 62 N -4.57 0.06 -0.29 -1.34 1.04 -1.25 -0.25 113.70 107.11 1vae s SER 62 Ca -0.09 -1.08 0.04 0.00 0.48 0.00 0.00 55.95 55.30 1vae s SER 62 Cb 0.03 0.56 0.18 0.00 0.10 0.00 0.00 66.02 66.89 1vae s SER 62 CO 0.36 -1.11 0.49 -0.63 0.98 0.00 0.00 173.24 173.33 1vae s ILE 63 N -3.92 -0.80 -0.90 -1.02 1.01 -1.02 -2.62 121.20 111.94 1vae s ILE 63 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1vae s ILE 63 Cb 0.01 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.48 1vae s ILE 63 CO 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 174.94 174.89 1vae n GLN 64 N 5.38 -0.68 -1.22 2.79 1.13 -0.42 -2.67 117.38 121.69 1vae n GLN 64 Ca 0.03 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.76 1vae n GLN 64 Cb 0.51 -4.61 0.00 0.00 0.11 0.00 0.00 30.24 26.25 1vae n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vae n GLY 65 N -1.51 0.94 3.60 1.08 0.00 -1.26 -4.96 105.19 103.08 1vae n GLY 65 Ca -0.10 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 1vae n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vae s VAL 66 N -2.00 3.31 -0.23 1.61 1.01 -1.09 -5.08 120.40 117.92 1vae s VAL 66 Ca 0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 61.98 59.97 1vae s VAL 66 Cb 0.00 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 1vae s VAL 66 CO 0.00 -0.19 1.24 -0.62 0.00 0.00 0.00 175.10 175.53 1vae s ASP 67 N -3.08 6.86 -0.30 3.32 -1.08 -1.26 -2.42 116.67 118.70 1vae s ASP 67 Ca 0.27 1.43 0.20 0.00 -0.52 0.00 0.00 52.55 53.92 1vae s ASP 67 Cb -0.08 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.32 1vae s ASP 67 CO 0.17 -0.88 1.02 0.00 0.52 0.00 0.00 175.17 175.99 1vae n LYS 69 N -0.27 2.16 -0.08 0.00 4.81 -1.08 -3.21 118.16 120.50 1vae n LYS 69 Ca 0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.43 1vae n LYS 69 Cb 0.81 -1.25 -0.11 0.00 0.02 0.00 0.00 35.03 34.50 1vae n LYS 69 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1vae n TRP 70 N -2.42 0.00 -1.26 5.64 7.02 -1.26 -3.87 117.44 121.29 1vae n TRP 70 Ca -0.17 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.94 1vae n TRP 70 Cb 0.81 -0.75 0.03 0.00 -2.42 0.00 0.00 31.31 28.98 1vae n TRP 70 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1vae n LEU 71 N -2.69 -2.10 0.00 -0.99 4.77 -1.26 -4.82 117.00 109.91 1vae n LEU 71 Ca -0.27 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1vae n LEU 71 Cb 0.96 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1vae n LEU 71 CO 0.29 -4.24 0.00 0.35 -1.33 0.00 0.00 177.39 172.46 1vae n THR 72 N -1.87 0.00 -0.04 -5.08 -2.24 -1.26 -4.51 114.28 99.27 1vae n THR 72 Ca 0.08 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 1vae n THR 72 Cb 0.49 -1.30 -0.08 0.00 -2.10 0.00 0.00 70.33 67.34 1vae n THR 72 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1vae h VAL 73 N -0.08 1.36 0.78 2.28 2.07 -1.85 -2.77 116.25 118.05 1vae h VAL 73 Ca 0.00 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 1vae h VAL 73 Cb 0.00 2.08 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1vae h VAL 73 CO 0.00 0.52 -0.38 -1.28 0.02 0.00 0.00 177.57 176.45 1vae h SER 74 N 0.14 -0.89 0.00 0.57 0.87 -1.95 -0.06 113.55 112.23 1vae h SER 74 Ca -0.01 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1vae h SER 74 Cb 1.04 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1vae h SER 74 CO 0.09 -0.63 0.00 -0.62 -0.53 0.00 0.00 176.83 175.14 1vae n GLU 75 N -5.54 0.00 -0.31 2.24 4.71 -1.24 -0.59 120.64 119.91 1vae n GLU 75 Ca -0.15 0.80 -0.07 0.00 -0.01 0.00 0.00 57.16 57.74 1vae n GLU 75 Cb 0.42 -1.44 -0.03 0.00 -1.01 0.00 0.00 31.44 29.38 1vae n GLU 75 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1vae h VAL 76 N 0.00 0.04 -1.04 2.62 2.07 -1.54 1.12 116.25 119.51 1vae h VAL 76 Ca 0.00 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.88 1vae h VAL 76 Cb 0.00 0.04 -0.15 0.00 -1.52 0.00 0.00 31.29 29.66 1vae h VAL 76 CO 0.00 0.00 0.60 0.24 0.02 0.00 0.00 177.57 178.43 1vae h MET 77 N -0.11 0.22 0.08 1.57 2.86 -0.17 1.31 114.93 120.68 1vae h MET 77 Ca 0.22 -0.01 -0.28 0.00 -2.06 0.00 0.00 59.70 57.57 1vae h MET 77 Cb 0.54 -0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.17 1vae h MET 77 CO -0.84 0.14 -1.15 -0.22 1.06 0.00 0.00 176.91 175.90 1vae h LYS 78 N 0.22 0.57 0.00 1.72 3.64 0.35 0.48 116.57 123.55 1vae h LYS 78 Ca 0.77 -0.71 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1vae h LYS 78 Cb 1.92 0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 33.96 1vae h LYS 78 CO -0.61 1.31 -0.10 1.25 -2.27 0.00 0.00 179.45 179.02 1vae h LEU 79 N 0.27 0.00 0.05 5.20 5.85 0.56 0.58 115.31 127.83 1vae h LEU 79 Ca -0.15 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.33 1vae h LEU 79 Cb 1.82 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.83 1vae h LEU 79 CO 0.22 0.10 -1.25 -0.07 -0.34 0.00 0.00 178.44 177.10 1vae h LEU 80 N 0.00 0.16 -0.25 2.25 3.38 0.80 -3.34 115.31 118.30 1vae h LEU 80 Ca -0.00 -0.72 0.05 0.00 0.09 0.00 0.00 57.88 57.30 1vae h LEU 80 Cb 0.32 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1vae h LEU 80 CO 0.01 1.52 -0.08 0.11 0.09 0.00 0.00 178.44 180.10 1vae h LYS 81 N -0.67 -0.02 -1.28 1.13 1.57 -0.60 0.15 116.57 116.85 1vae h LYS 81 Ca -0.31 0.00 0.37 0.00 -1.87 0.00 0.00 60.65 58.85 1vae h LYS 81 Cb 1.49 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.75 1vae h LYS 81 CO -0.07 -0.01 0.92 1.03 -0.57 0.00 0.00 179.45 180.74 1vae h SER 82 N -0.02 0.02 -0.91 0.86 0.87 -1.05 1.09 113.55 114.40 1vae h SER 82 Ca 0.12 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 60.09 1vae h SER 82 Cb 0.21 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 61.86 1vae h SER 82 CO -0.27 0.00 0.45 0.49 -0.53 0.00 0.00 176.83 176.97 1vae n PHE 83 N -4.17 2.98 -2.30 2.24 3.72 0.53 -5.00 117.46 115.46 1vae n PHE 83 Ca 0.28 -2.65 -0.42 0.00 -0.05 0.00 0.00 57.45 54.61 1vae n PHE 83 Cb 1.33 -1.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 1vae n PHE 83 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1vae s GLY 84 N -2.18 2.16 -0.86 1.37 0.00 0.37 -2.37 107.32 105.81 1vae s GLY 84 Ca 0.60 0.95 0.00 0.00 0.00 0.00 0.00 44.72 46.27 1vae s GLY 84 CO 0.01 2.23 0.00 0.61 0.00 0.00 0.00 173.10 175.95 1vae n GLY 85 N 3.39 0.98 3.06 0.20 0.00 -1.00 -4.83 105.19 106.99 1vae n GLY 85 Ca 0.11 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1vae n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vae s GLU 86 N -2.47 2.01 0.01 1.61 2.02 -1.00 -4.89 118.70 116.00 1vae s GLU 86 Ca 0.00 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.18 1vae s GLU 86 Cb 0.00 -1.64 -0.07 0.00 0.10 0.00 0.00 34.13 32.51 1vae s GLU 86 CO 0.00 0.03 1.76 -2.00 0.02 0.00 0.00 175.26 175.07 1vae s GLU 87 N 0.69 4.17 0.34 1.61 2.12 -1.26 -3.64 118.70 122.74 1vae s GLU 87 Ca -0.13 2.37 0.05 0.00 0.36 0.00 0.00 54.97 57.62 1vae s GLU 87 Cb -0.16 -3.93 -0.07 0.00 0.26 0.00 0.00 34.13 30.24 1vae s GLU 87 CO 0.03 -0.85 0.04 0.14 -0.54 0.00 0.00 175.26 174.08 1vae s VAL 88 N 3.77 1.41 -0.40 3.70 -7.23 -0.80 -4.98 120.40 115.87 1vae s VAL 88 Ca 0.78 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1vae s VAL 88 Cb -0.38 -2.81 0.11 0.00 0.56 0.00 0.00 36.38 33.86 1vae s VAL 88 CO 0.34 -0.03 0.17 -0.70 -0.31 0.00 0.00 175.10 174.57 1vae s GLU 89 N -3.84 1.89 -0.07 4.82 2.12 -1.26 -3.40 118.70 118.97 1vae s GLU 89 Ca 0.36 -1.84 -0.17 0.00 0.36 0.00 0.00 54.97 53.68 1vae s GLU 89 Cb 0.09 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 1vae s GLU 89 CO 0.16 -1.05 0.46 1.41 -0.54 0.00 0.00 175.26 175.70 1vae s MET 90 N 1.09 4.20 -0.11 4.30 -2.45 -1.20 -1.30 119.30 123.83 1vae s MET 90 Ca 0.09 0.45 -0.02 0.00 -1.25 0.00 0.00 55.69 54.96 1vae s MET 90 Cb -0.22 -3.35 -0.03 0.00 1.25 0.00 0.00 34.83 32.47 1vae s MET 90 CO -0.05 0.36 -0.01 0.15 1.05 0.00 0.00 175.02 176.52 1vae s LYS 91 N -0.04 3.22 0.16 4.11 3.01 -1.08 -1.80 119.74 127.32 1vae s LYS 91 Ca 0.25 -0.45 0.03 0.00 -1.01 0.00 0.00 55.97 54.79 1vae s LYS 91 Cb -0.16 -2.83 -0.05 0.00 -1.01 0.00 0.00 37.83 33.78 1vae s LYS 91 CO 0.12 0.54 -0.04 0.14 0.51 0.00 0.00 175.35 176.63 1vae s VAL 92 N -0.45 0.84 0.27 3.17 -7.23 -1.23 -1.15 120.40 114.62 1vae s VAL 92 Ca 0.08 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 1vae s VAL 92 Cb -0.12 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 1vae s VAL 92 CO 0.02 -0.59 0.36 0.68 -0.31 0.00 0.00 175.10 175.26 1vae s VAL 93 N -3.54 0.00 0.04 1.32 -7.23 -1.13 -1.46 120.40 108.40 1vae s VAL 93 Ca 0.21 -1.69 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1vae s VAL 93 Cb 0.05 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1vae s VAL 93 CO 0.02 0.00 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.25 1vae s SER 94 N -3.16 4.20 -0.26 4.85 0.01 -1.26 -3.13 113.70 114.96 1vae s SER 94 Ca 0.31 -0.33 -0.20 0.00 1.31 0.00 0.00 55.95 57.04 1vae s SER 94 Cb 0.02 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.42 1vae s SER 94 CO 0.15 0.25 0.63 -0.22 0.41 0.00 0.00 173.24 174.45 1vae s LEU 95 N -1.61 4.07 -0.21 2.44 0.20 -1.26 -2.29 118.68 120.01 1vae s LEU 95 Ca 0.17 0.68 -0.04 0.00 0.69 0.00 0.00 54.13 55.63 1vae s LEU 95 Cb -0.11 -2.85 -0.01 0.00 -0.43 0.00 0.00 46.19 42.80 1vae s LEU 95 CO 0.08 -0.38 -0.05 -0.76 -0.29 0.00 0.00 176.35 174.95 1vae s LEU 96 N 2.51 2.88 0.04 -0.68 1.43 -0.07 -5.02 118.68 119.78 1vae s LEU 96 Ca 0.26 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1vae s LEU 96 Cb -0.15 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1vae s LEU 96 CO 0.09 0.00 0.15 -1.81 0.23 0.00 0.00 176.35 175.01 1vae s ASP 97 N 1.35 0.10 0.15 2.29 1.11 -1.26 -3.18 116.67 117.24 1vae s ASP 97 Ca 0.04 -0.47 -0.29 0.00 0.18 0.00 0.00 52.55 52.02 1vae s ASP 97 Cb -0.14 0.27 -0.03 0.00 1.07 0.00 0.00 42.92 44.09 1vae s ASP 97 CO -0.03 -0.56 1.56 -1.28 1.18 0.00 0.00 175.17 176.04 1vae h SER 98 N 3.46 -1.70 -5.05 0.27 0.87 -2.00 -3.47 113.55 105.93 1vae h SER 98 Ca -0.32 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1vae h SER 98 Cb 1.19 0.74 -0.06 0.00 -0.44 0.00 0.00 62.40 63.83 1vae h SER 98 CO 0.50 -0.35 -0.98 0.41 -0.53 0.00 0.00 176.83 175.88 1vae n THR 99 N -5.38 -9.43 -3.85 2.23 -1.04 -1.26 -5.05 114.28 90.50 1vae n THR 99 Ca -0.00 2.07 -0.12 0.00 -2.04 0.00 0.00 64.05 63.96 1vae n THR 99 Cb 0.34 -5.13 -0.11 0.00 -1.82 0.00 0.00 70.33 63.61 1vae n THR 99 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1vae s SER 100 N -0.45 -0.05 0.23 8.00 0.01 -1.26 -5.17 113.70 115.02 1vae s SER 100 Ca -0.13 -0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.03 1vae s SER 100 Cb 0.01 0.26 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 1vae s SER 100 CO 0.36 -0.26 0.35 -0.55 0.41 0.00 0.00 173.24 173.55 1vae s SER 101 N -0.86 0.02 0.21 2.44 0.15 -1.26 -5.18 113.70 109.21 1vae s SER 101 Ca -0.10 -1.11 -0.02 0.00 0.70 0.00 0.00 55.95 55.43 1vae s SER 101 Cb -0.05 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1vae s SER 101 CO 0.01 -1.04 0.17 -0.32 1.20 0.00 0.00 173.24 173.26 1vae s MET 102 N -4.05 1.24 0.29 5.44 1.75 -1.26 -5.18 119.30 117.54 1vae s MET 102 Ca 0.29 -1.60 -0.16 0.00 -1.25 0.00 0.00 55.69 52.97 1vae s MET 102 Cb 0.02 0.29 0.02 0.00 2.84 0.00 0.00 34.83 38.00 1vae s MET 102 CO 0.10 -0.42 0.64 -1.58 -0.65 0.00 0.00 175.02 173.11 1vae s HIS 103 N -4.13 0.15 -0.17 4.11 2.46 -1.26 -5.18 115.29 111.27 1vae s HIS 103 Ca 0.37 -0.60 -0.34 0.00 0.47 0.00 0.00 55.06 54.97 1vae s HIS 103 Cb 0.06 0.50 0.14 0.00 -0.13 0.00 0.00 32.58 33.15 1vae s HIS 103 CO 0.12 -1.21 1.16 1.21 -2.47 0.00 0.00 174.74 173.55 1vae s ASN 104 N -3.01 -0.17 0.21 9.88 2.47 -1.26 -5.19 114.94 117.87 1vae s ASN 104 Ca 0.17 0.02 0.00 0.00 0.42 0.00 0.00 52.86 53.47 1vae s ASN 104 Cb -0.04 0.18 -0.04 0.00 -1.45 0.00 0.00 41.25 39.90 1vae s ASN 104 CO 0.10 -0.28 0.10 -0.75 -3.72 0.00 0.00 177.10 172.54 1vae s LYS 105 N -2.41 1.22 0.24 0.43 2.36 -1.26 -5.17 119.74 115.15 1vae s LYS 105 Ca 0.08 -1.64 -0.22 0.00 -2.55 0.00 0.00 55.97 51.65 1vae s LYS 105 Cb -0.01 0.04 0.03 0.00 -1.05 0.00 0.00 37.83 36.84 1vae s LYS 105 CO -0.05 -0.32 0.75 -1.54 1.55 0.00 0.00 175.35 175.75 1vae s SER 106 N -3.20 -0.28 -0.30 1.43 1.04 -1.26 -5.14 113.70 105.99 1vae s SER 106 Ca 0.35 -0.51 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 1vae s SER 106 Cb 0.07 0.67 0.19 0.00 0.10 0.00 0.00 66.02 67.05 1vae s SER 106 CO 0.10 -1.23 1.13 -0.83 0.98 0.00 0.00 173.24 173.40 1vae s GLY 107 N -2.90 -1.29 1.04 7.32 0.00 -1.26 -5.18 107.32 105.05 1vae s GLY 107 Ca 0.10 1.82 -0.18 0.00 0.00 0.00 0.00 44.72 46.47 1vae s GLY 107 CO 0.04 4.33 1.14 -1.55 0.00 0.00 0.00 173.10 177.06 1vae n PRO 108 N 4.18 -2.11 -2.73 2.90 -0.04 -1.26 -5.07 135.00 130.87 1vae n PRO 108 Ca 0.07 -1.79 -0.21 0.00 -0.04 0.00 0.00 63.50 61.53 1vae n PRO 108 Cb 0.62 -1.41 0.03 0.00 -0.04 0.00 0.00 33.50 32.70 1vae n PRO 108 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1vae s SER 109 N -4.94 5.39 0.15 3.54 1.04 -1.26 -5.12 113.70 112.50 1vae s SER 109 Ca 0.69 -0.00 -0.25 0.00 0.48 0.00 0.00 55.95 56.87 1vae s SER 109 Cb -0.04 -0.96 0.06 0.00 0.10 0.00 0.00 66.02 65.19 1vae s SER 109 CO 0.50 -1.04 0.92 -0.94 0.98 0.00 0.00 173.24 173.66 1vae s SER 110 N -4.39 -0.21 0.00 7.02 1.04 -1.26 -5.36 113.70 110.54 1vae s SER 110 Ca 0.56 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1vae s SER 110 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1vae s SER 110 CO 0.38 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.29