#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vd0 s SER 2 N 0.00 5.02 -0.20 1.09 0.15 -1.26 -5.04 113.70 113.46 1vd0 s SER 2 Ca 0.00 -2.50 -0.07 0.00 0.70 0.00 0.00 55.95 54.08 1vd0 s SER 2 Cb 0.00 -1.78 0.09 0.00 -1.71 0.00 0.00 66.02 62.63 1vd0 s SER 2 CO 0.00 -0.41 0.41 -0.75 1.20 0.00 0.00 173.24 173.70 1vd0 s LYS 3 N 0.45 0.32 -0.25 5.44 2.20 -1.26 -5.11 119.74 121.53 1vd0 s LYS 3 Ca 0.13 1.00 -0.02 0.00 -0.36 0.00 0.00 55.97 56.72 1vd0 s LYS 3 Cb -0.22 0.28 0.12 0.00 -1.51 0.00 0.00 37.83 36.50 1vd0 s LYS 3 CO -0.04 -0.28 0.26 -2.00 -0.36 0.00 0.00 175.35 172.94 1vd0 s GLU 4 N 2.61 0.26 -1.22 4.03 2.56 -1.26 -4.90 118.70 120.79 1vd0 s GLU 4 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.97 54.95 1vd0 s GLU 4 Cb -0.12 -0.90 0.01 0.00 2.00 0.00 0.00 34.13 35.12 1vd0 s GLU 4 CO -0.13 -0.84 1.05 2.41 -0.56 0.00 0.00 175.26 177.18 1vd0 n THR 5 N 5.32 -3.87 -0.81 -1.70 -1.04 -1.26 -4.87 114.28 106.04 1vd0 n THR 5 Ca -0.04 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.05 61.69 1vd0 n THR 5 Cb 0.48 -4.22 -0.02 0.00 -1.82 0.00 0.00 70.33 64.75 1vd0 n THR 5 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1vd0 n PHE 6 N -4.50 0.64 -1.83 -1.42 7.35 -1.26 -4.29 117.46 112.14 1vd0 n PHE 6 Ca -0.10 -1.48 -0.26 0.00 -0.76 0.00 0.00 57.45 54.85 1vd0 n PHE 6 Cb 0.60 -0.92 0.04 0.00 0.35 0.00 0.00 39.48 39.54 1vd0 n PHE 6 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1vd0 n THR 7 N 1.25 2.82 -3.89 -2.13 5.66 -1.26 -4.96 114.28 111.77 1vd0 n THR 7 Ca 0.22 -3.85 -0.27 0.00 -3.05 0.00 0.00 64.05 57.09 1vd0 n THR 7 Cb 0.60 -1.13 -0.17 0.00 -1.55 0.00 0.00 70.33 68.09 1vd0 n THR 7 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1vd0 s HIS 8 N -3.65 1.48 -0.30 1.09 3.76 -1.26 -5.10 115.29 111.31 1vd0 s HIS 8 Ca 0.54 -0.81 -0.16 0.00 -0.15 0.00 0.00 55.06 54.48 1vd0 s HIS 8 Cb 0.44 -1.22 0.17 0.00 1.11 0.00 0.00 32.58 33.07 1vd0 s HIS 8 CO 0.03 -0.54 1.02 -0.47 -0.85 0.00 0.00 174.74 173.93 1vd0 s TYR 9 N 1.71 -0.59 -0.55 1.40 5.04 -1.26 -5.11 117.35 117.99 1vd0 s TYR 9 Ca 0.03 1.04 0.04 0.00 -2.44 0.00 0.00 57.07 55.75 1vd0 s TYR 9 Cb -0.14 0.35 0.14 0.00 0.35 0.00 0.00 41.96 42.67 1vd0 s TYR 9 CO -0.08 -0.29 0.31 -0.65 -1.34 0.00 0.00 175.55 173.50 1vd0 s GLN 10 N 2.19 1.96 0.01 4.97 -0.21 -1.26 -4.96 119.66 122.37 1vd0 s GLN 10 Ca -0.03 -2.69 -0.23 0.00 0.02 0.00 0.00 55.36 52.42 1vd0 s GLN 10 Cb -0.05 -3.16 -0.18 0.00 1.00 0.00 0.00 33.01 30.62 1vd0 s GLN 10 CO -0.17 -1.16 1.30 -1.00 -2.12 0.00 0.00 175.29 172.14 1vd0 h PRO 11 N 6.27 0.16 -6.56 2.91 0.13 -2.07 -3.44 132.00 129.40 1vd0 h PRO 11 Ca -0.01 -0.08 -0.53 0.00 -0.87 0.00 0.00 66.00 64.50 1vd0 h PRO 11 Cb 0.87 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.02 1vd0 h PRO 11 CO 0.66 0.60 0.72 -1.14 -0.23 0.00 0.00 178.00 178.61 1vd0 s GLN 12 N -4.27 4.33 0.00 0.86 2.00 -1.26 -4.84 119.66 116.48 1vd0 s GLN 12 Ca -0.15 2.07 0.00 0.00 -2.00 0.00 0.00 55.36 55.28 1vd0 s GLN 12 Cb 0.03 -3.24 0.00 0.00 0.80 0.00 0.00 33.01 30.60 1vd0 s GLN 12 CO 0.71 -0.42 0.00 0.41 -0.50 0.00 0.00 175.29 175.49 1vd0 n GLY 13 N 3.36 1.55 3.42 2.59 0.00 -1.26 -5.19 105.19 109.66 1vd0 n GLY 13 Ca 0.11 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1vd0 n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vd0 s ASN 14 N 0.00 -0.49 -0.68 1.61 0.01 -1.26 -5.11 114.94 109.01 1vd0 s ASN 14 Ca 0.00 0.36 0.01 0.00 -0.71 0.00 0.00 52.86 52.53 1vd0 s ASN 14 Cb 0.00 0.49 0.17 0.00 0.41 0.00 0.00 41.25 42.32 1vd0 s ASN 14 CO 0.00 -0.65 0.48 -0.44 -1.51 0.00 0.00 177.10 174.98 1vd0 s SER 15 N -1.62 5.04 0.04 -1.22 0.01 -1.26 -5.05 113.70 109.65 1vd0 s SER 15 Ca -0.08 -3.38 -0.10 0.00 1.31 0.00 0.00 55.95 53.70 1vd0 s SER 15 Cb -0.01 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.47 1vd0 s SER 15 CO 0.03 -0.21 0.20 -1.81 0.41 0.00 0.00 173.24 171.86 1vd0 s ASP 16 N -0.37 0.03 0.16 2.44 1.01 -1.26 -5.06 116.67 113.62 1vd0 s ASP 16 Ca 0.21 -0.38 -0.09 0.00 0.71 0.00 0.00 52.55 53.01 1vd0 s ASP 16 Cb -0.14 0.30 0.02 0.00 1.01 0.00 0.00 42.92 44.11 1vd0 s ASP 16 CO -0.08 -0.58 1.51 1.55 0.21 0.00 0.00 175.17 177.77 1vd0 h PRO 17 N 3.37 0.86 -6.65 8.23 0.13 -2.05 -3.47 132.00 132.42 1vd0 h PRO 17 Ca -0.32 -0.45 -0.44 0.00 -0.87 0.00 0.00 66.00 63.92 1vd0 h PRO 17 Cb 1.19 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1vd0 h PRO 17 CO 0.49 1.09 -0.70 0.00 -0.23 0.00 0.00 178.00 178.65 1vd0 n ALA 18 N -2.53 -1.83 -0.43 -0.56 0.00 -1.26 -4.77 120.51 109.12 1vd0 n ALA 18 Ca -0.02 -0.33 0.10 0.00 0.00 0.00 0.00 53.44 53.18 1vd0 n ALA 18 Cb 0.54 -0.90 0.34 0.00 0.00 0.00 0.00 19.45 19.42 1vd0 n ALA 18 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vd0 n HIS 19 N -3.64 1.28 -4.42 0.00 8.25 -1.26 -4.95 115.22 110.48 1vd0 n HIS 19 Ca -0.19 -0.54 -0.28 0.00 -0.26 0.00 0.00 57.72 56.44 1vd0 n HIS 19 Cb 0.47 -0.16 -0.07 0.00 1.12 0.00 0.00 29.99 31.35 1vd0 n HIS 19 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1vd0 s THR 20 N -1.56 1.77 -0.02 1.59 -4.23 -1.26 -4.42 115.64 107.51 1vd0 s THR 20 Ca 0.49 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1vd0 s THR 20 Cb 0.29 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 1vd0 s THR 20 CO 0.27 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.36 1vd0 s ALA 21 N -2.74 3.30 -0.32 3.99 0.00 -0.20 -4.95 121.76 120.85 1vd0 s ALA 21 Ca 0.27 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1vd0 s ALA 21 Cb 0.04 -1.39 0.08 0.00 0.00 0.00 0.00 23.12 21.85 1vd0 s ALA 21 CO 0.15 0.64 0.01 0.95 0.00 0.00 0.00 175.76 177.50 1vd0 s THR 22 N -1.05 2.44 0.50 0.00 -4.23 -1.26 -2.45 115.64 109.59 1vd0 s THR 22 Ca 0.18 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.69 1vd0 s THR 22 Cb -0.11 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1vd0 s THR 22 CO 0.09 -0.36 0.79 0.00 -0.54 0.00 0.00 174.62 174.60 1vd0 s ALA 23 N 1.04 3.45 -1.85 3.99 0.00 -0.71 -4.89 121.76 122.79 1vd0 s ALA 23 Ca 0.02 -0.69 0.15 0.00 0.00 0.00 0.00 51.96 51.45 1vd0 s ALA 23 Cb -0.20 -2.49 0.88 0.00 0.00 0.00 0.00 23.12 21.32 1vd0 s ALA 23 CO -0.06 -0.48 1.36 -0.35 0.00 0.00 0.00 175.76 176.24 1vd0 n PRO 24 N -2.30 0.41 -2.33 0.00 -0.04 -1.26 -2.28 135.00 127.20 1vd0 n PRO 24 Ca 0.02 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1vd0 n PRO 24 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1vd0 n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vd0 n GLY 25 N -0.02 -5.29 0.66 0.55 0.00 -1.21 -4.11 105.19 95.77 1vd0 n GLY 25 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1vd0 n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vd0 n GLY 26 N 1.88 0.63 3.31 -0.02 0.00 -0.73 -4.64 105.19 105.63 1vd0 n GLY 26 Ca 0.00 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1vd0 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vd0 n LEU 27 N 0.07 -1.73 -0.00 0.99 4.32 -1.16 -4.74 117.00 114.75 1vd0 n LEU 27 Ca 0.00 0.01 0.03 0.00 -0.02 0.00 0.00 56.01 56.03 1vd0 n LEU 27 Cb 0.74 -1.03 -0.04 0.00 -1.62 0.00 0.00 43.42 41.47 1vd0 n LEU 27 CO -0.01 -3.27 -0.52 -1.20 -1.22 0.00 0.00 177.39 171.17 1vd0 n SER 28 N -1.52 3.48 -3.44 -1.43 7.64 -1.26 -4.40 113.62 112.70 1vd0 n SER 28 Ca 0.02 -0.05 -0.12 0.00 1.01 0.00 0.00 58.87 59.73 1vd0 n SER 28 Cb 0.60 1.23 -0.04 0.00 -1.01 0.00 0.00 64.21 64.99 1vd0 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vd0 s ALA 29 N -2.31 0.30 0.10 -0.43 0.00 -1.26 -4.67 121.76 113.49 1vd0 s ALA 29 Ca -0.02 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 1vd0 s ALA 29 Cb 0.04 1.07 -0.06 0.00 0.00 0.00 0.00 23.12 24.17 1vd0 s ALA 29 CO 0.22 -0.83 1.10 -1.59 0.00 0.00 0.00 175.76 174.67 1vd0 s LYS 30 N -3.26 4.54 -0.01 0.00 -2.85 -1.26 -3.01 119.74 113.89 1vd0 s LYS 30 Ca 0.26 1.66 0.00 0.00 -1.00 0.00 0.00 55.97 56.90 1vd0 s LYS 30 Cb -0.01 -3.34 0.01 0.00 -2.06 0.00 0.00 37.83 32.43 1vd0 s LYS 30 CO 0.16 -0.05 -0.01 0.00 0.10 0.00 0.00 175.35 175.55 1vd0 s ALA 31 N 0.43 0.17 0.76 0.59 0.00 -0.15 -4.99 121.76 118.57 1vd0 s ALA 31 Ca 0.53 0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 1vd0 s ALA 31 Cb -0.27 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1vd0 s ALA 31 CO 0.31 -0.00 1.09 -1.25 0.00 0.00 0.00 175.76 175.92 1vd0 s PRO 32 N 0.30 2.34 0.67 0.00 0.04 -1.26 -2.09 135.00 134.99 1vd0 s PRO 32 Ca -0.03 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 1vd0 s PRO 32 Cb -0.05 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.75 1vd0 s PRO 32 CO -0.01 -1.58 0.75 0.00 0.04 0.00 0.00 177.00 176.20 1vd0 n ALA 33 N -3.36 -1.44 -3.50 8.56 0.00 -1.26 -4.49 120.51 115.02 1vd0 n ALA 33 Ca 0.09 -1.03 -0.19 0.00 0.00 0.00 0.00 53.44 52.31 1vd0 n ALA 33 Cb 0.53 -0.06 0.06 0.00 0.00 0.00 0.00 19.45 19.98 1vd0 n ALA 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1vd0 n MET 34 N -3.08 -4.76 -3.63 0.00 2.81 0.44 -4.84 117.12 104.06 1vd0 n MET 34 Ca 0.10 0.75 -0.15 0.00 -1.81 0.00 0.00 57.70 56.58 1vd0 n MET 34 Cb 0.36 -5.50 -0.07 0.00 -0.71 0.00 0.00 33.22 27.29 1vd0 n MET 34 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1vd0 s THR 35 N -3.48 0.01 0.48 2.03 -4.23 -1.24 -2.59 115.64 106.62 1vd0 s THR 35 Ca 0.13 -0.09 -0.22 0.00 -1.18 0.00 0.00 61.69 60.33 1vd0 s THR 35 Cb -0.03 -0.85 -0.07 0.00 1.34 0.00 0.00 72.50 72.90 1vd0 s THR 35 CO 0.77 -0.05 1.16 -2.16 -0.54 0.00 0.00 174.62 173.79 1vd0 s PRO 36 N -0.58 3.64 0.39 3.99 0.04 -1.26 -0.06 135.00 141.15 1vd0 s PRO 36 Ca -0.07 1.73 0.04 0.00 0.04 0.00 0.00 61.00 62.74 1vd0 s PRO 36 Cb -0.03 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1vd0 s PRO 36 CO 0.05 -0.64 0.10 -0.51 0.04 0.00 0.00 177.00 176.04 1vd0 s LEU 37 N -3.25 2.06 -0.02 -3.56 1.43 0.14 -3.01 118.68 112.47 1vd0 s LEU 37 Ca 0.66 -1.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 1vd0 s LEU 37 Cb -0.27 -0.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 1vd0 s LEU 37 CO 0.32 -0.83 -0.20 0.00 0.23 0.00 0.00 176.35 175.87 1vd0 s MET 38 N -3.78 1.73 -0.39 1.70 0.23 0.39 -1.02 119.30 118.16 1vd0 s MET 38 Ca 0.26 -0.72 -0.13 0.00 -1.03 0.00 0.00 55.69 54.07 1vd0 s MET 38 Cb 0.04 -1.62 0.02 0.00 -1.53 0.00 0.00 34.83 31.74 1vd0 s MET 38 CO 0.14 0.40 0.26 -1.17 -2.03 0.00 0.00 175.02 172.62 1vd0 s LEU 39 N -0.37 4.91 0.07 0.18 1.98 -1.26 -1.22 118.68 122.97 1vd0 s LEU 39 Ca 0.05 -0.88 -0.31 0.00 -2.89 0.00 0.00 54.13 50.10 1vd0 s LEU 39 Cb -0.09 -2.11 -0.07 0.00 0.66 0.00 0.00 46.19 44.59 1vd0 s LEU 39 CO -0.00 -0.41 1.32 -0.62 -1.89 0.00 0.00 176.35 174.75 1vd0 s ASP 40 N 1.64 6.92 -0.15 3.68 -1.08 0.20 -4.94 116.67 122.95 1vd0 s ASP 40 Ca 0.04 2.17 -0.12 0.00 -0.52 0.00 0.00 52.55 54.12 1vd0 s ASP 40 Cb -0.19 -2.58 -0.24 0.00 -1.46 0.00 0.00 42.92 38.45 1vd0 s ASP 40 CO 0.09 -0.60 0.31 0.41 0.52 0.00 0.00 175.17 175.90 1vd0 n THR 41 N 4.07 1.70 0.08 1.71 -1.04 -1.26 -2.66 114.28 116.89 1vd0 n THR 41 Ca 0.11 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.05 61.55 1vd0 n THR 41 Cb 0.44 -1.84 -0.08 0.00 -1.82 0.00 0.00 70.33 67.03 1vd0 n THR 41 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1vd0 h SER 42 N -0.29 -0.21 1.05 8.00 0.02 -1.95 -3.13 113.55 117.03 1vd0 h SER 42 Ca -0.40 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 1vd0 h SER 42 Cb 1.79 0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.39 1vd0 h SER 42 CO -0.01 0.24 0.00 0.28 -1.14 0.00 0.00 176.83 176.20 1vd0 h SER 43 N -0.73 0.00 -4.80 3.07 0.02 -1.99 -3.46 113.55 105.65 1vd0 h SER 43 Ca -0.03 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.58 1vd0 h SER 43 Cb 0.50 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.14 1vd0 h SER 43 CO 0.04 0.00 -0.57 0.54 -1.14 0.00 0.00 176.83 175.71 1vd0 n ARG 44 N -2.81 -6.11 -3.97 3.45 5.12 -1.12 -5.01 116.66 106.21 1vd0 n ARG 44 Ca 0.02 0.74 -0.09 0.00 -1.93 0.00 0.00 57.85 56.58 1vd0 n ARG 44 Cb 0.31 -5.41 -0.09 0.00 -1.16 0.00 0.00 32.46 26.11 1vd0 n ARG 44 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1vd0 s LYS 45 N -5.96 0.61 -0.12 5.56 -2.85 -1.09 -4.88 119.74 111.02 1vd0 s LYS 45 Ca 0.44 -0.90 -0.03 0.00 -1.00 0.00 0.00 55.97 54.48 1vd0 s LYS 45 Cb -0.19 0.23 -0.03 0.00 -2.06 0.00 0.00 37.83 35.78 1vd0 s LYS 45 CO 0.54 -0.15 -0.01 -1.17 0.10 0.00 0.00 175.35 174.66 1vd0 s LEU 46 N -2.39 3.45 0.14 2.77 0.20 -1.26 0.60 118.68 122.19 1vd0 s LEU 46 Ca -0.01 0.03 -0.03 0.00 0.69 0.00 0.00 54.13 54.80 1vd0 s LEU 46 Cb 0.01 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 1vd0 s LEU 46 CO -0.07 0.28 0.13 0.68 -0.29 0.00 0.00 176.35 177.09 1vd0 s VAL 47 N -0.32 0.09 0.44 1.68 -7.23 -0.36 -1.77 120.40 112.93 1vd0 s VAL 47 Ca 0.06 -1.75 -0.24 0.00 -1.81 0.00 0.00 61.98 58.24 1vd0 s VAL 47 Cb -0.12 -1.99 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 1vd0 s VAL 47 CO 0.02 -0.40 1.02 0.00 -0.31 0.00 0.00 175.10 175.43 1vd0 n ALA 48 N -0.14 0.25 -1.63 1.32 0.00 -1.26 -0.46 120.51 118.59 1vd0 n ALA 48 Ca -0.06 0.21 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 1vd0 n ALA 48 Cb 0.63 -2.09 0.07 0.00 0.00 0.00 0.00 19.45 18.07 1vd0 n ALA 48 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1vd0 n TRP 49 N -0.59 1.65 -0.05 0.00 -0.00 -1.16 -4.37 117.44 112.91 1vd0 n TRP 49 Ca 0.10 0.42 -0.12 0.00 -0.00 0.00 0.00 57.50 57.90 1vd0 n TRP 49 Cb 0.40 -2.22 -0.11 0.00 -0.00 0.00 0.00 31.31 29.38 1vd0 n TRP 49 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 1vd0 h ASP 50 N 0.32 -0.02 0.00 5.87 3.58 -1.91 -3.48 116.42 120.79 1vd0 h ASP 50 Ca -0.50 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.20 1vd0 h ASP 50 Cb 1.34 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1vd0 h ASP 50 CO 0.52 0.81 0.00 0.61 -2.88 0.00 0.00 179.24 178.30 1vd0 n GLY 51 N 1.35 1.77 0.20 -0.78 0.00 -1.26 -4.68 105.19 101.79 1vd0 n GLY 51 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1vd0 n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vd0 n THR 52 N -0.07 1.22 -1.69 2.61 -2.24 -1.26 -2.91 114.28 109.94 1vd0 n THR 52 Ca 0.00 -0.39 -0.54 0.00 -2.27 0.00 0.00 64.05 60.85 1vd0 n THR 52 Cb 0.00 -1.51 -0.06 0.00 -2.10 0.00 0.00 70.33 66.65 1vd0 n THR 52 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1vd0 n THR 53 N -3.55 0.40 -2.59 4.28 -1.04 -1.26 -4.90 114.28 105.62 1vd0 n THR 53 Ca -0.41 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.05 61.11 1vd0 n THR 53 Cb 0.86 -1.47 -0.04 0.00 -1.82 0.00 0.00 70.33 67.86 1vd0 n THR 53 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1vd0 s ASP 54 N 3.97 7.30 -1.40 8.00 -4.77 -1.26 -3.33 116.67 125.18 1vd0 s ASP 54 Ca 0.97 1.89 0.00 0.00 -3.30 0.00 0.00 52.55 52.12 1vd0 s ASP 54 Cb -0.93 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 38.31 1vd0 s ASP 54 CO 0.60 -0.26 0.00 0.61 0.70 0.00 0.00 175.17 176.83 1vd0 n GLY 55 N 2.60 -0.23 0.10 2.12 0.00 -1.26 -4.90 105.19 103.62 1vd0 n GLY 55 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1vd0 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vd0 h ALA 56 N 0.74 0.63 -2.06 4.61 0.00 -1.71 -3.46 119.26 118.02 1vd0 h ALA 56 Ca -0.38 -1.40 -0.58 0.00 0.00 0.00 0.00 54.91 52.55 1vd0 h ALA 56 Cb 1.28 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1vd0 h ALA 56 CO 0.46 1.47 1.43 0.00 0.00 0.00 0.00 179.25 182.61 1vd0 n ALA 57 N -2.66 1.73 -0.10 0.00 0.00 -1.22 -4.39 120.51 113.87 1vd0 n ALA 57 Ca -0.20 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 1vd0 n ALA 57 Cb 1.05 -2.86 -0.15 0.00 0.00 0.00 0.00 19.45 17.48 1vd0 n ALA 57 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1vd0 n VAL 58 N 7.21 1.43 -3.84 0.00 0.24 -0.19 -4.45 118.33 118.73 1vd0 n VAL 58 Ca 0.28 -0.80 -0.07 0.00 -2.04 0.00 0.00 64.34 61.71 1vd0 n VAL 58 Cb 0.44 -0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 1vd0 n VAL 58 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1vd0 s GLY 59 N -5.65 -0.03 -0.17 7.63 0.00 -1.25 -4.94 107.32 102.91 1vd0 s GLY 59 Ca -0.14 -0.33 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 1vd0 s GLY 59 CO 0.79 -0.06 -0.07 -0.42 0.00 0.00 0.00 173.10 173.34 1vd0 s ILE 60 N -3.55 3.46 0.09 0.90 1.01 -1.26 0.28 121.20 122.13 1vd0 s ILE 60 Ca 0.12 -0.50 -0.31 0.00 0.00 0.00 0.00 60.65 59.97 1vd0 s ILE 60 Cb -0.05 -2.52 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 1vd0 s ILE 60 CO 0.07 0.47 1.78 -0.22 0.00 0.00 0.00 174.94 177.04 1vd0 s LEU 61 N 0.80 4.39 -0.07 2.97 0.20 0.91 -0.14 118.68 127.73 1vd0 s LEU 61 Ca -0.02 2.64 -0.26 0.00 0.69 0.00 0.00 54.13 57.18 1vd0 s LEU 61 Cb -0.15 -3.56 -0.24 0.00 -0.43 0.00 0.00 46.19 41.81 1vd0 s LEU 61 CO 0.02 -0.97 0.97 0.00 -0.29 0.00 0.00 176.35 176.08 1vd0 h ALA 62 N 8.70 0.01 -4.46 5.97 0.00 -1.61 0.13 119.26 128.00 1vd0 h ALA 62 Ca -0.45 -0.46 -0.70 0.00 0.00 0.00 0.00 54.91 53.30 1vd0 h ALA 62 Cb 1.21 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.72 1vd0 h ALA 62 CO 0.94 0.03 -0.88 0.08 0.00 0.00 0.00 179.25 179.42 1vd0 s VAL 63 N -2.95 2.14 0.28 0.00 1.01 -1.24 -4.26 120.40 115.37 1vd0 s VAL 63 Ca -0.17 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1vd0 s VAL 63 Cb -0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 36.38 34.49 1vd0 s VAL 63 CO 0.72 0.58 1.12 0.00 0.00 0.00 0.00 175.10 177.52 1vd0 n ALA 64 N 2.52 0.08 -2.27 5.51 0.00 -1.26 -4.65 120.51 120.43 1vd0 n ALA 64 Ca -0.16 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 1vd0 n ALA 64 Cb 0.51 -2.08 -0.09 0.00 0.00 0.00 0.00 19.45 17.79 1vd0 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vd0 s ALA 65 N -0.84 1.34 0.28 0.00 0.00 -0.89 -4.89 121.76 116.76 1vd0 s ALA 65 Ca 0.61 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.84 1vd0 s ALA 65 Cb -0.69 1.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1vd0 s ALA 65 CO 0.58 -0.63 0.25 -0.40 0.00 0.00 0.00 175.76 175.56 1vd0 n ASP 66 N -0.70 -0.62 0.20 0.00 5.68 -1.26 -0.98 116.55 118.86 1vd0 n ASP 66 Ca 0.04 -2.87 0.14 0.00 -0.50 0.00 0.00 54.79 51.60 1vd0 n ASP 66 Cb 0.65 1.45 0.65 0.00 -1.14 0.00 0.00 41.12 42.73 1vd0 n ASP 66 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1vd0 h GLN 67 N 0.00 0.00 -0.01 0.11 -0.00 -1.74 -1.32 115.11 112.16 1vd0 h GLN 67 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 1vd0 h GLN 67 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.51 1vd0 h GLN 67 CO 0.29 0.00 -0.08 -2.37 -0.00 0.00 0.00 178.83 176.67 1vd0 n THR 68 N -2.55 0.00 -2.81 1.86 5.66 -1.26 -4.64 114.28 110.54 1vd0 n THR 68 Ca 0.00 -0.10 -0.42 0.00 -3.05 0.00 0.00 64.05 60.48 1vd0 n THR 68 Cb 0.19 0.04 -0.03 0.00 -1.55 0.00 0.00 70.33 68.98 1vd0 n THR 68 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1vd0 s SER 69 N -2.28 6.99 0.00 1.09 0.01 -0.50 -4.91 113.70 114.10 1vd0 s SER 69 Ca 0.34 1.22 0.27 0.00 1.31 0.00 0.00 55.95 59.09 1vd0 s SER 69 Cb 0.20 -2.48 0.91 0.00 0.21 0.00 0.00 66.02 64.86 1vd0 s SER 69 CO 0.43 -0.51 1.68 1.07 0.41 0.00 0.00 173.24 176.32 1vd0 n THR 70 N 5.03 0.00 -3.67 1.44 5.66 -1.26 -4.28 114.28 117.19 1vd0 n THR 70 Ca 0.07 -0.02 -0.10 0.00 -3.05 0.00 0.00 64.05 60.96 1vd0 n THR 70 Cb 0.48 -0.06 -0.10 0.00 -1.55 0.00 0.00 70.33 69.09 1vd0 n THR 70 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1vd0 s THR 71 N -2.87 -0.35 -0.10 1.09 2.01 -1.26 -3.30 115.64 110.86 1vd0 s THR 71 Ca 0.16 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.27 1vd0 s THR 71 Cb 0.19 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1vd0 s THR 71 CO 0.59 0.06 0.05 -0.76 -0.69 0.00 0.00 174.62 173.86 1vd0 s LEU 72 N 2.05 3.83 -0.61 4.42 1.43 -0.96 -4.84 118.68 124.01 1vd0 s LEU 72 Ca -0.05 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1vd0 s LEU 72 Cb -0.10 -1.90 0.16 0.00 0.03 0.00 0.00 46.19 44.37 1vd0 s LEU 72 CO -0.13 0.38 0.42 -0.89 0.23 0.00 0.00 176.35 176.37 1vd0 s THR 73 N -0.90 3.68 0.23 5.49 2.01 -1.26 -1.74 115.64 123.16 1vd0 s THR 73 Ca 0.14 -2.88 0.08 0.00 0.31 0.00 0.00 61.69 59.34 1vd0 s THR 73 Cb -0.12 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1vd0 s THR 73 CO 0.03 -0.86 0.03 0.72 -0.69 0.00 0.00 174.62 173.84 1vd0 s PHE 74 N 0.04 2.81 1.03 4.92 -0.71 -1.03 -1.57 117.98 123.48 1vd0 s PHE 74 Ca 0.16 -0.18 -0.12 0.00 -1.04 0.00 0.00 56.93 55.75 1vd0 s PHE 74 Cb -0.20 -1.29 0.20 0.00 -1.21 0.00 0.00 43.02 40.52 1vd0 s PHE 74 CO -0.03 0.57 1.08 0.71 -1.34 0.00 0.00 175.22 176.21 1vd0 s TYR 75 N -2.08 1.98 -0.03 3.49 2.02 0.80 -1.03 117.35 122.50 1vd0 s TYR 75 Ca 0.30 1.02 0.00 0.00 -0.37 0.00 0.00 57.07 58.02 1vd0 s TYR 75 Cb -0.08 -3.24 -0.02 0.00 -0.40 0.00 0.00 41.96 38.22 1vd0 s TYR 75 CO 0.20 -3.06 -0.02 0.36 -1.57 0.00 0.00 175.55 171.46 1vd0 n LYS 76 N -4.30 0.30 -3.87 -0.62 -0.00 -1.26 -4.13 118.16 104.28 1vd0 n LYS 76 Ca 0.05 0.02 -0.08 0.00 -0.00 0.00 0.00 58.31 58.30 1vd0 n LYS 76 Cb 0.57 -1.06 -0.02 0.00 -0.00 0.00 0.00 35.03 34.52 1vd0 n LYS 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1vd0 s SER 77 N -4.21 -0.19 0.00 -5.58 0.15 -1.26 -4.33 113.70 98.28 1vd0 s SER 77 Ca -0.04 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1vd0 s SER 77 Cb 0.01 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1vd0 s SER 77 CO 0.07 -1.37 0.00 0.61 1.20 0.00 0.00 173.24 173.74 1vd0 n GLY 78 N -0.46 3.42 3.65 9.45 0.00 -1.25 -4.97 105.19 115.03 1vd0 n GLY 78 Ca -0.04 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1vd0 n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vd0 s THR 79 N -2.39 4.07 -0.08 2.61 2.01 -1.26 -3.47 115.64 117.13 1vd0 s THR 79 Ca 0.00 1.27 0.03 0.00 0.31 0.00 0.00 61.69 63.31 1vd0 s THR 79 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1vd0 s THR 79 CO 0.00 -0.20 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.20 1vd0 s PHE 80 N 3.92 2.65 0.12 4.92 0.08 -0.85 -5.03 117.98 123.80 1vd0 s PHE 80 Ca 0.60 -0.53 -0.31 0.00 0.12 0.00 0.00 56.93 56.81 1vd0 s PHE 80 Cb -0.23 -1.69 -0.09 0.00 -0.57 0.00 0.00 43.02 40.44 1vd0 s PHE 80 CO 0.20 -0.09 1.50 1.03 -0.10 0.00 0.00 175.22 177.76 1vd0 s ARG 81 N -0.16 4.26 0.04 0.44 3.00 -1.26 -3.30 118.95 121.97 1vd0 s ARG 81 Ca -0.02 2.21 -0.16 0.00 0.00 0.00 0.00 55.73 57.77 1vd0 s ARG 81 Cb -0.14 -3.30 -0.27 0.00 0.00 0.00 0.00 34.95 31.24 1vd0 s ARG 81 CO 0.04 -0.56 1.10 -0.92 0.00 0.00 0.00 175.30 174.96 1vd0 h TYR 82 N 7.13 0.93 -0.45 -0.53 5.03 -1.93 -2.40 116.97 124.75 1vd0 h TYR 82 Ca -0.42 -0.56 0.10 0.00 2.58 0.00 0.00 58.73 60.43 1vd0 h TYR 82 Cb 1.20 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 1vd0 h TYR 82 CO 0.68 1.40 0.31 1.05 -1.32 0.00 0.00 178.16 180.29 1vd0 h GLU 83 N 0.20 0.17 0.00 1.82 4.11 -1.91 -2.70 114.58 116.26 1vd0 h GLU 83 Ca -0.16 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.21 1vd0 h GLU 83 Cb 1.76 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 1vd0 h GLU 83 CO 0.21 0.11 -0.32 0.22 0.07 0.00 0.00 179.01 179.29 1vd0 h ASP 84 N 0.17 0.00 -1.39 3.06 3.58 -1.96 -3.46 116.42 116.41 1vd0 h ASP 84 Ca 0.21 -0.77 -0.75 0.00 0.42 0.00 0.00 57.03 56.14 1vd0 h ASP 84 Cb 0.61 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.70 1vd0 h ASP 84 CO -0.03 1.07 0.52 0.52 -2.88 0.00 0.00 179.24 178.44 1vd0 n VAL 85 N -4.58 0.08 -2.85 2.25 0.31 -0.91 -4.84 118.33 107.79 1vd0 n VAL 85 Ca -0.15 -0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 63.73 1vd0 n VAL 85 Cb 0.48 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1vd0 n VAL 85 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1vd0 n LEU 86 N 3.28 5.53 -4.74 7.52 7.94 -1.07 -4.94 117.00 130.51 1vd0 n LEU 86 Ca 0.23 -4.54 -0.36 0.00 -1.11 0.00 0.00 56.01 50.23 1vd0 n LEU 86 Cb 0.11 -1.58 0.06 0.00 0.53 0.00 0.00 43.42 42.54 1vd0 n LEU 86 CO 0.71 0.90 0.85 0.26 -1.11 0.00 0.00 177.39 179.00 1vd0 s TRP 87 N 1.12 2.21 0.48 1.96 0.52 -1.26 -4.83 118.94 119.14 1vd0 s TRP 87 Ca 0.41 1.53 -0.22 0.00 0.02 0.00 0.00 56.10 57.84 1vd0 s TRP 87 Cb -0.01 -3.54 -0.07 0.00 -1.15 0.00 0.00 33.47 28.70 1vd0 s TRP 87 CO 0.00 -2.54 1.16 -1.25 0.02 0.00 0.00 176.95 174.34 1vd0 s PRO 88 N -3.51 3.67 0.33 4.98 0.04 -1.26 -4.94 135.00 134.31 1vd0 s PRO 88 Ca 0.78 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.57 1vd0 s PRO 88 Cb -0.32 -2.32 0.55 0.00 0.04 0.00 0.00 34.50 32.45 1vd0 s PRO 88 CO 0.38 -0.62 1.97 1.05 0.04 0.00 0.00 177.00 179.82 1vd0 h GLU 89 N 1.87 0.88 -0.74 4.56 9.09 -1.93 -2.84 114.58 125.46 1vd0 h GLU 89 Ca -0.49 -0.08 0.27 0.00 0.05 0.00 0.00 59.36 59.11 1vd0 h GLU 89 Cb 1.25 -0.19 -0.14 0.00 -1.65 0.00 0.00 28.75 28.03 1vd0 h GLU 89 CO 0.59 0.62 0.25 0.00 0.05 0.00 0.00 179.01 180.52 1vd0 n ALA 90 N -2.44 0.61 -2.17 1.06 0.00 -1.26 -3.74 120.51 112.57 1vd0 n ALA 90 Ca 0.06 0.77 -0.40 0.00 0.00 0.00 0.00 53.44 53.88 1vd0 n ALA 90 Cb 0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1vd0 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vd0 s ALA 91 N -5.34 2.47 0.09 0.00 0.00 -1.07 -4.70 121.76 113.20 1vd0 s ALA 91 Ca -0.08 -0.60 0.11 0.00 0.00 0.00 0.00 51.96 51.39 1vd0 s ALA 91 Cb 0.24 -4.21 0.10 0.00 0.00 0.00 0.00 23.12 19.25 1vd0 s ALA 91 CO 0.58 -3.44 1.45 0.66 0.00 0.00 0.00 175.76 175.01 1vd0 h SER 92 N 13.29 0.00 -3.15 0.00 4.64 -1.86 -3.44 113.55 123.02 1vd0 h SER 92 Ca -0.27 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.43 1vd0 h SER 92 Cb 1.14 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.12 1vd0 h SER 92 CO 1.19 0.71 -0.48 -0.62 -0.87 0.00 0.00 176.83 176.76 1vd0 s ASP 93 N -6.63 6.26 0.39 4.97 -1.08 -1.26 -4.98 116.67 114.33 1vd0 s ASP 93 Ca 0.01 0.29 0.08 0.00 -0.52 0.00 0.00 52.55 52.41 1vd0 s ASP 93 Cb 0.10 -2.09 0.79 0.00 -1.46 0.00 0.00 42.92 40.25 1vd0 s ASP 93 CO 0.77 0.22 1.96 1.05 0.52 0.00 0.00 175.17 179.68 1vd0 h GLU 94 N 6.35 0.37 0.00 4.34 4.11 -2.02 -1.48 114.58 126.26 1vd0 h GLU 94 Ca -0.44 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 1vd0 h GLU 94 Cb 1.17 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1vd0 h GLU 94 CO 0.73 0.39 -0.06 1.15 0.07 0.00 0.00 179.01 181.29 1vd0 h THR 95 N 0.37 0.14 -0.06 -1.06 2.02 -1.98 -2.66 112.91 109.68 1vd0 h THR 95 Ca 0.08 -0.78 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 1vd0 h THR 95 Cb 0.23 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1vd0 h THR 95 CO 0.00 0.06 -0.59 0.50 0.37 0.00 0.00 175.52 175.86 1vd0 h LYS 96 N 0.00 0.19 0.00 6.66 1.63 -1.65 -1.89 116.57 121.51 1vd0 h LYS 96 Ca -0.00 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1vd0 h LYS 96 Cb 0.68 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1vd0 h LYS 96 CO 0.01 0.73 -0.14 0.87 -3.45 0.00 0.00 179.45 177.47 1vd0 h LYS 97 N 0.14 0.00 -0.21 1.90 1.57 -1.50 -3.19 116.57 115.28 1vd0 h LYS 97 Ca -0.01 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1vd0 h LYS 97 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1vd0 h LYS 97 CO 0.09 0.15 0.25 0.07 -0.57 0.00 0.00 179.45 179.44 1vd0 h ARG 98 N -1.00 0.00 -0.61 3.15 0.11 -1.60 0.47 114.38 114.90 1vd0 h ARG 98 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1vd0 h ARG 98 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1vd0 h ARG 98 CO -0.01 0.00 0.00 2.41 0.10 0.00 0.00 179.97 182.47 1vd0 n THR 99 N -3.71 1.30 0.22 0.08 -1.04 -0.71 -4.18 114.28 106.25 1vd0 n THR 99 Ca 0.02 -0.88 0.11 0.00 -2.04 0.00 0.00 64.05 61.26 1vd0 n THR 99 Cb 0.38 0.10 0.45 0.00 -1.82 0.00 0.00 70.33 69.44 1vd0 n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vd0 h ALA 100 N 3.84 1.00 -0.72 2.41 0.00 -0.03 -2.96 119.26 122.80 1vd0 h ALA 100 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 54.91 54.33 1vd0 h ALA 100 Cb 1.11 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.63 1vd0 h ALA 100 CO 0.15 0.25 0.31 1.19 0.00 0.00 0.00 179.25 181.15 1vd0 n PHE 101 N -3.34 2.26 -2.34 0.00 3.72 -1.26 -3.43 117.46 113.08 1vd0 n PHE 101 Ca 0.00 -1.89 -0.42 0.00 -0.05 0.00 0.00 57.45 55.09 1vd0 n PHE 101 Cb 0.43 -0.79 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 1vd0 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vd0 s ALA 102 N -3.35 3.59 0.00 4.37 0.00 -1.12 -2.82 121.76 122.43 1vd0 s ALA 102 Ca 0.52 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1vd0 s ALA 102 Cb 0.45 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1vd0 s ALA 102 CO 0.05 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1vd0 n GLY 103 N 3.60 0.52 3.45 0.00 0.00 -1.26 -4.96 105.19 106.54 1vd0 n GLY 103 Ca 0.13 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 1vd0 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vd0 s THR 104 N -2.00 1.86 -1.36 2.61 -4.23 -1.13 -5.01 115.64 106.39 1vd0 s THR 104 Ca 0.00 -2.17 0.14 0.00 -1.18 0.00 0.00 61.69 58.48 1vd0 s THR 104 Cb 0.00 -2.45 0.23 0.00 1.34 0.00 0.00 72.50 71.61 1vd0 s THR 104 CO 0.00 -0.31 1.40 0.00 -0.54 0.00 0.00 174.62 175.17 1vd0 n ALA 105 N -0.62 1.78 -2.70 3.99 0.00 -1.26 -4.64 120.51 117.06 1vd0 n ALA 105 Ca -0.05 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 1vd0 n ALA 105 Cb 0.63 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1vd0 n ALA 105 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vd0 s ILE 106 N -2.64 5.30 -0.01 0.00 1.01 -1.26 -3.82 121.20 119.78 1vd0 s ILE 106 Ca 0.12 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.30 1vd0 s ILE 106 Cb 0.09 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1vd0 s ILE 106 CO 0.22 0.36 -0.12 -0.55 0.00 0.00 0.00 174.94 174.85 1vd0 s SER 107 N 0.68 4.19 -0.10 3.58 0.15 -1.23 -4.80 113.70 116.17 1vd0 s SER 107 Ca 0.15 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.58 1vd0 s SER 107 Cb -0.13 -0.88 0.02 0.00 -1.71 0.00 0.00 66.02 63.32 1vd0 s SER 107 CO 0.04 0.31 -0.12 -0.51 1.20 0.00 0.00 173.24 174.16 1vd0 s ILE 108 N -0.86 1.29 0.00 6.45 1.10 -1.26 -2.00 121.20 125.92 1vd0 s ILE 108 Ca 0.14 -0.50 0.00 0.00 -0.51 0.00 0.00 60.65 59.77 1vd0 s ILE 108 Cb -0.11 -1.21 0.00 0.00 0.15 0.00 0.00 42.46 41.29 1vd0 s ILE 108 CO 0.04 0.40 0.24 0.55 -2.11 0.00 0.00 174.94 174.06