#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 -0.05 -0.24 3.42 0.01 -1.26 -5.17 113.70 110.41 1vd0 s SER 2 Ca 0.00 -0.24 -0.28 0.00 1.31 0.00 0.00 55.95 56.74 1vd0 s SER 2 Cb 0.00 0.32 0.15 0.00 0.21 0.00 0.00 66.02 66.70 1vd0 s SER 2 CO 0.00 -0.56 1.15 -1.59 0.41 0.00 0.00 173.24 172.65 1vd0 s LYS 3 N -2.38 0.37 -0.08 12.44 0.00 -1.26 -5.16 119.74 123.68 1vd0 s LYS 3 Ca -0.06 0.21 -0.03 0.00 0.00 0.00 0.00 55.97 56.09 1vd0 s LYS 3 Cb -0.02 0.18 0.04 0.00 0.00 0.00 0.00 37.83 38.03 1vd0 s LYS 3 CO -0.03 -0.09 0.06 -1.83 0.00 0.00 0.00 175.35 173.47 1vd0 s GLU 4 N -0.60 0.01 -0.11 1.78 1.03 -1.26 -5.14 118.70 114.41 1vd0 s GLU 4 Ca 0.03 0.22 -0.26 0.00 0.03 0.00 0.00 54.97 54.99 1vd0 s GLU 4 Cb -0.02 -0.94 0.06 0.00 -0.80 0.00 0.00 34.13 32.43 1vd0 s GLU 4 CO -0.05 -0.43 0.62 0.95 -1.33 0.00 0.00 175.26 175.02 1vd0 s THR 5 N 2.14 0.01 -0.30 1.83 -4.23 -1.26 -5.15 115.64 108.69 1vd0 s THR 5 Ca 0.04 -0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.40 1vd0 s THR 5 Cb -0.13 -0.91 0.18 0.00 1.34 0.00 0.00 72.50 72.98 1vd0 s THR 5 CO -0.05 -0.03 0.94 0.12 -0.54 0.00 0.00 174.62 175.06 1vd0 s PHE 6 N -0.69 -0.81 -0.25 3.99 5.36 -1.26 -5.14 117.98 119.18 1vd0 s PHE 6 Ca -0.08 0.69 -0.03 0.00 -0.96 0.00 0.00 56.93 56.55 1vd0 s PHE 6 Cb -0.02 0.22 0.14 0.00 -0.34 0.00 0.00 43.02 43.02 1vd0 s PHE 6 CO 0.06 -0.45 0.40 -0.08 -1.46 0.00 0.00 175.22 173.69 1vd0 s THR 7 N 2.93 -0.65 -0.30 0.12 -1.32 -1.26 -5.13 115.64 110.03 1vd0 s THR 7 Ca 0.11 -0.06 -0.13 0.00 -1.21 0.00 0.00 61.69 60.40 1vd0 s THR 7 Cb -0.08 -0.83 0.15 0.00 -1.51 0.00 0.00 72.50 70.22 1vd0 s THR 7 CO -0.17 -0.11 0.85 -2.28 -2.21 0.00 0.00 174.62 170.69 1vd0 s HIS 8 N 2.58 -0.94 -0.30 9.09 5.04 -1.26 -5.14 115.29 124.36 1vd0 s HIS 8 Ca 0.14 1.66 -0.15 0.00 -1.54 0.00 0.00 55.06 55.16 1vd0 s HIS 8 Cb -0.15 0.56 0.18 0.00 0.04 0.00 0.00 32.58 33.21 1vd0 s HIS 8 CO -0.16 -0.47 1.12 -0.47 -2.34 0.00 0.00 174.74 172.42 1vd0 s TYR 9 N 2.50 -0.38 -0.12 3.88 5.04 -1.26 -5.16 117.35 121.84 1vd0 s TYR 9 Ca -0.05 0.47 -0.06 0.00 -2.44 0.00 0.00 57.07 54.99 1vd0 s TYR 9 Cb -0.08 0.16 -0.04 0.00 0.35 0.00 0.00 41.96 42.35 1vd0 s TYR 9 CO -0.18 -0.21 0.11 -1.14 -1.34 0.00 0.00 175.55 172.80 1vd0 s GLN 10 N 2.78 3.44 0.26 4.97 0.74 -1.26 -5.08 119.66 125.51 1vd0 s GLN 10 Ca -0.03 -0.19 -0.29 0.00 0.05 0.00 0.00 55.36 54.89 1vd0 s GLN 10 Cb -0.08 -3.14 -0.09 0.00 1.10 0.00 0.00 33.01 30.80 1vd0 s GLN 10 CO -0.12 0.71 1.26 -1.25 -0.55 0.00 0.00 175.29 175.35 1vd0 s PRO 11 N -0.85 4.44 -0.04 1.67 0.04 -1.26 -5.04 135.00 133.96 1vd0 s PRO 11 Ca 0.14 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 1vd0 s PRO 11 Cb -0.12 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1vd0 s PRO 11 CO 0.03 -0.12 0.08 -1.14 0.04 0.00 0.00 177.00 175.89 1vd0 s GLN 12 N -1.00 0.05 0.00 4.56 0.74 -1.26 -5.09 119.66 117.65 1vd0 s GLN 12 Ca 0.51 0.21 0.00 0.00 0.05 0.00 0.00 55.36 56.13 1vd0 s GLN 12 Cb -0.36 -0.12 0.00 0.00 1.10 0.00 0.00 33.01 33.63 1vd0 s GLN 12 CO 0.44 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 1vd0 n GLY 13 N 3.76 0.38 3.08 2.59 0.00 -1.26 -5.17 105.19 108.57 1vd0 n GLY 13 Ca -0.21 0.42 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 0.10 -0.55 1.61 0.01 -1.26 -5.10 114.94 109.75 1vd0 s ASN 14 Ca 0.00 0.68 0.04 0.00 -0.71 0.00 0.00 52.86 52.87 1vd0 s ASN 14 Cb 0.00 0.78 0.14 0.00 0.41 0.00 0.00 41.25 42.59 1vd0 s ASN 14 CO 0.00 -0.22 0.32 -0.44 -1.51 0.00 0.00 177.10 175.25 1vd0 s SER 15 N 2.22 4.18 -0.70 -1.22 0.01 -1.26 -5.03 113.70 111.90 1vd0 s SER 15 Ca -0.02 -3.16 -0.04 0.00 1.31 0.00 0.00 55.95 54.05 1vd0 s SER 15 Cb -0.12 -1.46 0.18 0.00 0.21 0.00 0.00 66.02 64.84 1vd0 s SER 15 CO -0.10 -0.20 0.54 1.51 0.41 0.00 0.00 173.24 175.41 1vd0 s ASP 16 N -0.45 5.51 0.35 2.44 1.47 -1.26 -4.91 116.67 119.82 1vd0 s ASP 16 Ca 0.20 -3.04 0.14 0.00 1.18 0.00 0.00 52.55 51.03 1vd0 s ASP 16 Cb -0.19 -1.89 0.65 0.00 -0.34 0.00 0.00 42.92 41.15 1vd0 s ASP 16 CO -0.05 -0.34 1.76 1.55 0.68 0.00 0.00 175.17 178.76 1vd0 h PRO 17 N 6.86 0.00 -6.29 2.11 0.13 -1.96 -3.45 132.00 129.39 1vd0 h PRO 17 Ca 0.03 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.88 1vd0 h PRO 17 Cb 0.93 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.22 1vd0 h PRO 17 CO 0.74 0.43 -0.40 0.00 -0.23 0.00 0.00 178.00 178.54 1vd0 n ALA 18 N -2.41 -2.00 -0.05 -0.56 0.00 -1.26 -4.99 120.51 109.24 1vd0 n ALA 18 Ca -0.01 -1.22 -0.03 0.00 0.00 0.00 0.00 53.44 52.18 1vd0 n ALA 18 Cb 0.48 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 1vd0 n ALA 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vd0 h HIS 19 N -2.73 0.00 -4.39 0.00 2.76 -2.01 -3.48 115.15 105.30 1vd0 h HIS 19 Ca -0.32 0.00 -0.46 0.00 -2.20 0.00 0.00 60.37 57.39 1vd0 h HIS 19 Cb 0.96 0.00 0.12 0.00 1.55 0.00 0.00 27.41 30.04 1vd0 h HIS 19 CO -2.54 0.00 0.41 0.95 -1.30 0.00 0.00 177.93 175.44 1vd0 s THR 20 N -1.86 2.01 0.33 6.26 -4.23 -1.26 -4.67 115.64 112.23 1vd0 s THR 20 Ca -0.09 -0.01 0.07 0.00 -1.18 0.00 0.00 61.69 60.47 1vd0 s THR 20 Cb 0.01 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1vd0 s THR 20 CO 0.13 0.00 0.46 0.00 -0.54 0.00 0.00 174.62 174.67 1vd0 s ALA 21 N -3.66 4.23 -0.29 3.99 0.00 -0.01 -4.97 121.76 121.05 1vd0 s ALA 21 Ca 0.66 -1.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1vd0 s ALA 21 Cb -0.09 -1.67 0.10 0.00 0.00 0.00 0.00 23.12 21.46 1vd0 s ALA 21 CO 0.50 -0.03 0.10 0.95 0.00 0.00 0.00 175.76 177.28 1vd0 s THR 22 N -2.18 0.67 0.41 0.00 -4.23 -1.26 -3.17 115.64 105.89 1vd0 s THR 22 Ca 0.45 -1.20 -0.16 0.00 -1.18 0.00 0.00 61.69 59.60 1vd0 s THR 22 Cb -0.09 -1.48 -0.09 0.00 1.34 0.00 0.00 72.50 72.18 1vd0 s THR 22 CO 0.31 -0.64 0.86 0.00 -0.54 0.00 0.00 174.62 174.62 1vd0 s ALA 23 N 1.73 3.18 -2.00 3.99 0.00 -0.50 -4.88 121.76 123.28 1vd0 s ALA 23 Ca 0.08 0.14 0.11 0.00 0.00 0.00 0.00 51.96 52.30 1vd0 s ALA 23 Cb -0.17 -2.95 0.67 0.00 0.00 0.00 0.00 23.12 20.67 1vd0 s ALA 23 CO -0.26 0.08 1.11 -0.35 0.00 0.00 0.00 175.76 176.34 1vd0 n PRO 24 N -0.89 0.49 -1.83 0.00 -0.04 -1.26 -1.56 135.00 129.90 1vd0 n PRO 24 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1vd0 n PRO 24 Cb 0.54 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 -5.13 0.15 0.55 0.00 -1.25 -4.29 105.19 95.20 1vd0 n GLY 25 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.48 -0.24 3.66 -0.02 0.00 -1.12 -4.77 105.19 104.17 1vd0 n GLY 26 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.68 -0.13 0.99 4.77 -1.25 -4.83 117.00 120.23 1vd0 n LEU 27 Ca 0.00 0.99 0.12 0.00 -0.03 0.00 0.00 56.01 57.09 1vd0 n LEU 27 Cb 0.52 -1.44 0.22 0.00 -2.33 0.00 0.00 43.42 40.40 1vd0 n LEU 27 CO 0.00 -1.21 0.44 -1.54 -1.33 0.00 0.00 177.39 173.74 1vd0 n SER 28 N -0.10 0.89 -2.90 -1.43 3.41 -1.26 -3.86 113.62 108.36 1vd0 n SER 28 Ca 0.10 -0.69 -0.05 0.00 -0.26 0.00 0.00 58.87 57.96 1vd0 n SER 28 Cb 0.42 0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.73 1vd0 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vd0 n ALA 29 N -1.07 -2.09 -1.77 7.33 0.00 -1.26 -4.78 120.51 116.87 1vd0 n ALA 29 Ca 0.08 -1.06 -0.40 0.00 0.00 0.00 0.00 53.44 52.06 1vd0 n ALA 29 Cb 0.35 0.73 -0.01 0.00 0.00 0.00 0.00 19.45 20.52 1vd0 n ALA 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1vd0 s LYS 30 N -2.06 4.08 -0.11 0.00 0.00 -1.26 -2.08 119.74 118.31 1vd0 s LYS 30 Ca 0.18 2.16 -0.05 0.00 0.00 0.00 0.00 55.97 58.26 1vd0 s LYS 30 Cb -0.04 -2.84 0.05 0.00 0.00 0.00 0.00 37.83 35.01 1vd0 s LYS 30 CO 0.08 -0.40 0.24 0.00 0.00 0.00 0.00 175.35 175.27 1vd0 s ALA 31 N -1.24 -0.51 0.76 0.59 0.00 0.68 -4.94 121.76 117.10 1vd0 s ALA 31 Ca 0.55 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 1vd0 s ALA 31 Cb -0.38 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.06 1vd0 s ALA 31 CO 0.50 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.77 1vd0 s PRO 32 N 1.62 2.31 0.61 0.00 0.04 -1.26 -0.77 135.00 137.55 1vd0 s PRO 32 Ca -0.06 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 1vd0 s PRO 32 Cb -0.11 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 32.67 1vd0 s PRO 32 CO -0.08 -1.60 0.83 0.00 0.04 0.00 0.00 177.00 176.19 1vd0 n ALA 33 N -3.39 -0.93 -3.46 8.56 0.00 -1.26 -4.54 120.51 115.48 1vd0 n ALA 33 Ca 0.09 -1.09 -0.18 0.00 0.00 0.00 0.00 53.44 52.26 1vd0 n ALA 33 Cb 0.53 -0.05 0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.75 -5.08 -3.59 0.00 2.81 0.13 -4.73 117.12 103.91 1vd0 n MET 34 Ca 0.10 0.79 -0.16 0.00 -1.81 0.00 0.00 57.70 56.63 1vd0 n MET 34 Cb 0.36 -5.64 -0.06 0.00 -0.71 0.00 0.00 33.22 27.17 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 -3.44 0.02 0.27 2.03 -4.23 -1.26 -0.40 115.64 108.65 1vd0 s THR 35 Ca 0.12 -0.18 -0.29 0.00 -1.18 0.00 0.00 61.69 60.16 1vd0 s THR 35 Cb -0.02 -0.91 -0.10 0.00 1.34 0.00 0.00 72.50 72.81 1vd0 s THR 35 CO 0.75 -0.10 1.25 -2.16 -0.54 0.00 0.00 174.62 173.83 1vd0 s PRO 36 N -1.67 4.44 0.23 3.99 0.04 -1.26 -0.69 135.00 140.08 1vd0 s PRO 36 Ca -0.10 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.10 1vd0 s PRO 36 Cb -0.01 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 1vd0 s PRO 36 CO 0.05 -0.11 -0.18 -0.51 0.04 0.00 0.00 177.00 176.29 1vd0 s LEU 37 N -1.12 2.54 0.00 -3.56 1.43 0.12 -1.78 118.68 116.32 1vd0 s LEU 37 Ca 0.50 -0.99 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1vd0 s LEU 37 Cb -0.37 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1vd0 s LEU 37 CO 0.45 -0.04 -0.24 0.00 0.23 0.00 0.00 176.35 176.75 1vd0 s MET 38 N -3.38 2.04 -0.41 1.70 0.23 0.11 -0.24 119.30 119.35 1vd0 s MET 38 Ca 0.24 -0.97 -0.18 0.00 -1.03 0.00 0.00 55.69 53.75 1vd0 s MET 38 Cb -0.04 -2.06 0.02 0.00 -1.53 0.00 0.00 34.83 31.21 1vd0 s MET 38 CO 0.11 0.55 0.51 -1.17 -2.03 0.00 0.00 175.02 172.98 1vd0 s LEU 39 N -0.90 4.65 -0.03 0.18 1.98 -1.26 -1.25 118.68 122.05 1vd0 s LEU 39 Ca 0.11 -0.44 -0.30 0.00 -2.89 0.00 0.00 54.13 50.61 1vd0 s LEU 39 Cb -0.10 -2.52 -0.05 0.00 0.66 0.00 0.00 46.19 44.18 1vd0 s LEU 39 CO 0.01 -0.61 1.44 -0.62 -1.89 0.00 0.00 176.35 174.68 1vd0 s ASP 40 N 1.85 6.82 -0.03 3.68 -1.08 0.49 -4.92 116.67 123.50 1vd0 s ASP 40 Ca 0.16 2.09 -0.12 0.00 -0.52 0.00 0.00 52.55 54.16 1vd0 s ASP 40 Cb -0.16 -2.55 -0.32 0.00 -1.46 0.00 0.00 42.92 38.43 1vd0 s ASP 40 CO 0.15 -0.77 0.77 0.00 0.52 0.00 0.00 175.17 175.84 1vd0 h THR 41 N 5.10 1.04 0.23 1.71 1.03 -1.94 -1.35 112.91 118.73 1vd0 h THR 41 Ca -0.37 -2.57 -0.01 0.00 -0.01 0.00 0.00 66.41 63.45 1vd0 h THR 41 Cb 1.17 2.84 0.00 0.00 -1.07 0.00 0.00 68.15 71.10 1vd0 h THR 41 CO 0.92 0.85 -0.11 0.28 -0.01 0.00 0.00 175.52 177.45 1vd0 h SER 42 N 0.12 -0.26 1.13 0.00 0.02 -1.95 -2.93 113.55 109.68 1vd0 h SER 42 Ca -0.32 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1vd0 h SER 42 Cb 2.12 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.73 1vd0 h SER 42 CO 0.21 -0.02 -0.08 -1.20 -1.14 0.00 0.00 176.83 174.59 1vd0 n SER 43 N -5.14 0.40 -1.89 3.07 7.64 -1.26 -4.91 113.62 111.53 1vd0 n SER 43 Ca -0.09 0.44 -0.18 0.00 1.01 0.00 0.00 58.87 60.05 1vd0 n SER 43 Cb 0.21 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 1vd0 n SER 43 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1vd0 n ARG 44 N -1.84 -1.40 -4.70 1.43 1.74 -0.58 -4.98 116.66 106.33 1vd0 n ARG 44 Ca 0.06 0.95 -0.31 0.00 -0.77 0.00 0.00 57.85 57.78 1vd0 n ARG 44 Cb 0.38 -5.39 -0.08 0.00 -1.02 0.00 0.00 32.46 26.35 1vd0 n ARG 44 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1vd0 s LYS 45 N -4.54 2.14 -0.07 5.56 3.01 -0.77 -4.85 119.74 120.21 1vd0 s LYS 45 Ca 0.00 -2.35 0.02 0.00 -1.01 0.00 0.00 55.97 52.63 1vd0 s LYS 45 Cb 0.00 -1.29 0.01 0.00 -1.01 0.00 0.00 37.83 35.54 1vd0 s LYS 45 CO 0.00 -0.40 -0.14 -1.17 0.51 0.00 0.00 175.35 174.15 1vd0 s LEU 46 N -3.81 1.70 0.18 3.17 0.20 -1.26 0.18 118.68 119.04 1vd0 s LEU 46 Ca 0.10 -0.33 -0.02 0.00 0.69 0.00 0.00 54.13 54.56 1vd0 s LEU 46 Cb 0.02 -0.91 -0.04 0.00 -0.43 0.00 0.00 46.19 44.84 1vd0 s LEU 46 CO 0.06 0.05 0.15 0.68 -0.29 0.00 0.00 176.35 176.99 1vd0 s VAL 47 N 0.63 0.03 0.56 1.68 -7.23 -0.38 -2.79 120.40 112.90 1vd0 s VAL 47 Ca -0.15 -1.89 -0.19 0.00 -1.81 0.00 0.00 61.98 57.94 1vd0 s VAL 47 Cb -0.16 -2.30 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 1vd0 s VAL 47 CO 0.04 -0.15 0.74 0.00 -0.31 0.00 0.00 175.10 175.42 1vd0 n ALA 48 N -0.22 -0.52 -1.75 1.32 0.00 -1.26 0.04 120.51 118.11 1vd0 n ALA 48 Ca -0.01 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1vd0 n ALA 48 Cb 0.65 -1.96 0.03 0.00 0.00 0.00 0.00 19.45 18.17 1vd0 n ALA 48 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1vd0 s TRP 49 N -1.59 2.40 0.05 0.00 -0.00 -0.73 -4.25 118.94 114.82 1vd0 s TRP 49 Ca 0.71 1.39 -0.23 0.00 -0.00 0.00 0.00 56.10 57.97 1vd0 s TRP 49 Cb -0.45 -3.75 -0.15 0.00 -0.00 0.00 0.00 33.47 29.13 1vd0 s TRP 49 CO 0.52 -2.68 1.52 0.22 -0.00 0.00 0.00 176.95 176.53 1vd0 h ASP 50 N 1.65 0.11 0.00 5.86 1.82 -1.90 -3.48 116.42 120.48 1vd0 h ASP 50 Ca -0.51 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 55.89 1vd0 h ASP 50 Cb 1.29 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1vd0 h ASP 50 CO 0.58 0.33 0.00 0.61 -1.61 0.00 0.00 179.24 179.15 1vd0 n GLY 51 N -0.45 1.72 0.55 -0.78 0.00 -1.26 -4.82 105.19 100.15 1vd0 n GLY 51 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.19 0.25 -1.55 2.61 -2.24 -1.26 -1.96 114.28 109.93 1vd0 n THR 52 Ca 0.00 -0.07 -0.55 0.00 -2.27 0.00 0.00 64.05 61.15 1vd0 n THR 52 Cb 0.00 -1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 66.92 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 -2.99 0.23 -2.38 4.28 -1.04 -1.26 -4.88 114.28 106.23 1vd0 n THR 53 Ca -0.08 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 1vd0 n THR 53 Cb 0.57 -1.29 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 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 5.27 7.06 -1.25 8.00 -4.77 -1.26 -3.05 116.67 126.67 1vd0 s ASP 54 Ca 1.05 2.11 -0.01 0.00 -3.30 0.00 0.00 52.55 52.41 1vd0 s ASP 54 Cb -1.05 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 38.19 1vd0 s ASP 54 CO 0.60 -0.46 0.08 0.61 0.70 0.00 0.00 175.17 176.70 1vd0 n GLY 55 N 2.93 -0.24 0.12 2.12 0.00 -1.26 -4.91 105.19 103.96 1vd0 n GLY 55 Ca 0.08 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 1vd0 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vd0 n ALA 56 N -1.96 1.09 -1.65 4.61 0.00 -1.17 -4.87 120.51 116.56 1vd0 n ALA 56 Ca -0.16 -0.66 -0.44 0.00 0.00 0.00 0.00 53.44 52.18 1vd0 n ALA 56 Cb 0.63 -0.72 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 1vd0 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vd0 n ALA 57 N -2.86 1.39 -0.10 0.00 0.00 -1.23 -4.42 120.51 113.29 1vd0 n ALA 57 Ca -0.27 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1vd0 n ALA 57 Cb 1.05 -2.66 -0.13 0.00 0.00 0.00 0.00 19.45 17.70 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 5.85 1.30 -3.87 0.00 0.24 0.67 -4.39 118.33 118.13 1vd0 n VAL 58 Ca 0.23 -0.70 -0.10 0.00 -2.04 0.00 0.00 64.34 61.74 1vd0 n VAL 58 Cb 0.37 -0.77 0.01 0.00 -1.47 0.00 0.00 33.84 31.98 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 -5.60 0.54 -0.12 7.63 0.00 -1.22 -4.89 107.32 103.67 1vd0 s GLY 59 Ca -0.16 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1vd0 s GLY 59 CO 0.69 -0.43 -0.15 -0.42 0.00 0.00 0.00 173.10 172.79 1vd0 s ILE 60 N -2.63 2.89 0.04 0.90 1.01 -1.26 0.15 121.20 122.30 1vd0 s ILE 60 Ca 0.18 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 1vd0 s ILE 60 Cb -0.04 -2.19 -0.08 0.00 0.01 0.00 0.00 42.46 40.16 1vd0 s ILE 60 CO 0.13 0.54 1.70 -0.22 0.00 0.00 0.00 174.94 177.08 1vd0 s LEU 61 N 0.24 4.37 -0.04 2.97 0.20 0.13 -0.16 118.68 126.38 1vd0 s LEU 61 Ca -0.10 2.46 -0.23 0.00 0.69 0.00 0.00 54.13 56.95 1vd0 s LEU 61 Cb -0.16 -3.55 -0.25 0.00 -0.43 0.00 0.00 46.19 41.80 1vd0 s LEU 61 CO 0.06 -0.92 1.00 0.00 -0.29 0.00 0.00 176.35 176.20 1vd0 h ALA 62 N 8.88 0.02 -3.22 5.97 0.00 -1.46 0.37 119.26 129.82 1vd0 h ALA 62 Ca -0.43 -0.54 -0.58 0.00 0.00 0.00 0.00 54.91 53.36 1vd0 h ALA 62 Cb 1.20 0.03 -0.35 0.00 0.00 0.00 0.00 17.79 18.67 1vd0 h ALA 62 CO 0.94 0.20 -0.83 0.08 0.00 0.00 0.00 179.25 179.64 1vd0 s VAL 63 N -2.95 1.46 0.31 0.00 1.01 -1.22 -4.49 120.40 114.53 1vd0 s VAL 63 Ca -0.15 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 1vd0 s VAL 63 Cb 0.01 -1.36 -0.14 0.00 0.00 0.00 0.00 36.38 34.90 1vd0 s VAL 63 CO 0.78 0.44 0.16 0.00 0.00 0.00 0.00 175.10 176.47 1vd0 n ALA 64 N 4.41 -2.74 -3.68 5.51 0.00 -1.26 -4.71 120.51 118.03 1vd0 n ALA 64 Ca -0.18 0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 1vd0 n ALA 64 Cb 0.51 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 1vd0 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vd0 n ALA 65 N -0.69 0.22 -3.40 0.00 0.00 0.05 -4.84 120.51 111.84 1vd0 n ALA 65 Ca 0.11 -1.06 -0.09 0.00 0.00 0.00 0.00 53.44 52.41 1vd0 n ALA 65 Cb 0.32 0.85 -0.04 0.00 0.00 0.00 0.00 19.45 20.59 1vd0 n ALA 65 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1vd0 s ASP 66 N -2.30 -0.05 0.58 0.00 1.47 -1.26 -0.23 116.67 114.87 1vd0 s ASP 66 Ca 0.21 -0.91 0.27 0.00 1.18 0.00 0.00 52.55 53.31 1vd0 s ASP 66 Cb 0.01 0.66 1.61 0.00 -0.34 0.00 0.00 42.92 44.85 1vd0 s ASP 66 CO 0.15 -1.26 2.10 0.06 0.68 0.00 0.00 175.17 176.89 1vd0 h GLN 67 N 2.15 0.00 -0.01 2.11 -0.00 -1.53 0.38 115.11 118.22 1vd0 h GLN 67 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 1vd0 h GLN 67 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 1vd0 h GLN 67 CO 0.33 0.00 0.00 -2.37 -0.00 0.00 0.00 178.83 176.79 1vd0 n THR 68 N -3.92 0.01 -2.83 1.86 5.66 -1.26 -4.63 114.28 109.17 1vd0 n THR 68 Ca 0.02 -0.03 -0.42 0.00 -3.05 0.00 0.00 64.05 60.56 1vd0 n THR 68 Cb 0.33 -0.32 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1vd0 n THR 68 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1vd0 s SER 69 N -1.82 6.69 0.03 1.09 0.15 0.13 -4.90 113.70 115.08 1vd0 s SER 69 Ca 0.39 0.62 0.17 0.00 0.70 0.00 0.00 55.95 57.84 1vd0 s SER 69 Cb 0.18 -2.46 0.73 0.00 -1.71 0.00 0.00 66.02 62.77 1vd0 s SER 69 CO 0.31 -0.80 1.55 0.41 1.20 0.00 0.00 173.24 175.90 1vd0 n THR 70 N 5.87 0.86 -3.66 6.45 -1.04 -1.26 -4.42 114.28 117.08 1vd0 n THR 70 Ca 0.07 0.21 -0.14 0.00 -2.04 0.00 0.00 64.05 62.15 1vd0 n THR 70 Cb 0.48 -0.96 -0.08 0.00 -1.82 0.00 0.00 70.33 67.95 1vd0 n THR 70 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1vd0 s THR 71 N -3.04 0.00 -0.13 12.58 2.01 -1.26 -3.77 115.64 122.03 1vd0 s THR 71 Ca 0.07 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1vd0 s THR 71 Cb 0.11 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 1vd0 s THR 71 CO 0.31 -0.01 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.33 1vd0 s LEU 72 N 0.16 2.58 -0.61 4.42 1.43 -0.60 -4.80 118.68 121.26 1vd0 s LEU 72 Ca -0.01 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1vd0 s LEU 72 Cb -0.04 -1.58 0.15 0.00 0.03 0.00 0.00 46.19 44.76 1vd0 s LEU 72 CO 0.02 0.14 0.56 -0.89 0.23 0.00 0.00 176.35 176.41 1vd0 s THR 73 N 0.49 5.24 0.23 5.49 2.01 -1.26 -1.42 115.64 126.42 1vd0 s THR 73 Ca -0.10 -1.79 0.11 0.00 0.31 0.00 0.00 61.69 60.22 1vd0 s THR 73 Cb -0.16 -4.33 -0.05 0.00 0.01 0.00 0.00 72.50 67.98 1vd0 s THR 73 CO 0.05 -0.91 -0.22 0.72 -0.69 0.00 0.00 174.62 173.57 1vd0 s PHE 74 N 1.19 2.24 1.17 4.92 -0.71 -1.19 -1.15 117.98 124.44 1vd0 s PHE 74 Ca 0.07 -0.36 -0.18 0.00 -1.04 0.00 0.00 56.93 55.42 1vd0 s PHE 74 Cb -0.24 -1.05 0.27 0.00 -1.21 0.00 0.00 43.02 40.79 1vd0 s PHE 74 CO -0.00 0.58 1.12 0.71 -1.34 0.00 0.00 175.22 176.29 1vd0 s TYR 75 N -2.10 0.72 0.00 3.49 2.02 0.77 -0.83 117.35 121.43 1vd0 s TYR 75 Ca 0.24 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.47 1vd0 s TYR 75 Cb -0.06 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 1vd0 s TYR 75 CO 0.12 -3.70 0.00 0.36 -1.57 0.00 0.00 175.55 170.76 1vd0 n LYS 76 N -4.64 2.32 -3.81 -0.62 -0.00 -1.26 -4.17 118.16 105.99 1vd0 n LYS 76 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.38 1vd0 n LYS 76 Cb 0.59 -0.81 0.02 0.00 -0.00 0.00 0.00 35.03 34.84 1vd0 n LYS 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1vd0 n SER 77 N -1.47 -1.95 0.00 -5.58 2.88 -1.26 -4.41 113.62 101.84 1vd0 n SER 77 Ca 0.00 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1vd0 n SER 77 Cb 0.31 3.20 0.00 0.00 -0.75 0.00 0.00 64.21 66.97 1vd0 n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vd0 n GLY 78 N -0.64 2.67 3.65 0.46 0.00 -1.26 -4.97 105.19 105.10 1vd0 n GLY 78 Ca -0.05 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.79 4.42 0.20 2.61 2.01 -1.26 -3.34 115.64 117.49 1vd0 s THR 79 Ca 0.00 1.68 0.11 0.00 0.31 0.00 0.00 61.69 63.79 1vd0 s THR 79 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1vd0 s THR 79 CO 0.00 -0.29 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.09 1vd0 s PHE 80 N 3.61 2.40 -0.07 4.92 0.08 -1.18 -5.05 117.98 122.69 1vd0 s PHE 80 Ca 0.50 -0.32 -0.23 0.00 0.12 0.00 0.00 56.93 57.00 1vd0 s PHE 80 Cb -0.17 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 1vd0 s PHE 80 CO 0.14 0.53 0.68 1.03 -0.10 0.00 0.00 175.22 177.51 1vd0 s ARG 81 N -2.85 4.43 0.08 0.44 3.00 -1.26 -3.05 118.95 119.73 1vd0 s ARG 81 Ca 0.23 0.85 -0.11 0.00 0.00 0.00 0.00 55.73 56.70 1vd0 s ARG 81 Cb -0.08 -3.45 -0.23 0.00 0.00 0.00 0.00 34.95 31.20 1vd0 s ARG 81 CO 0.12 0.07 1.17 -0.92 0.00 0.00 0.00 175.30 175.74 1vd0 h TYR 82 N 6.77 0.87 -0.21 -0.53 5.03 -1.87 -2.38 116.97 124.64 1vd0 h TYR 82 Ca -0.41 -0.52 0.06 0.00 2.58 0.00 0.00 58.73 60.44 1vd0 h TYR 82 Cb 1.19 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.39 1vd0 h TYR 82 CO 0.65 1.36 0.15 1.05 -1.32 0.00 0.00 178.16 180.05 1vd0 h GLU 83 N 0.27 0.03 0.07 1.82 4.11 -1.93 -2.65 114.58 116.29 1vd0 h GLU 83 Ca -0.15 -0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.07 1vd0 h GLU 83 Cb 1.80 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 1vd0 h GLU 83 CO 0.21 0.02 -1.08 0.22 0.07 0.00 0.00 179.01 178.45 1vd0 h ASP 84 N 0.03 0.23 -1.22 3.06 1.82 -1.96 -3.46 116.42 114.92 1vd0 h ASP 84 Ca 0.10 -0.81 -0.68 0.00 -0.39 0.00 0.00 57.03 55.25 1vd0 h ASP 84 Cb 0.36 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 1vd0 h ASP 84 CO -0.00 1.46 1.28 0.52 -1.61 0.00 0.00 179.24 180.89 1vd0 n VAL 85 N -4.18 0.24 -2.31 2.25 0.31 -0.90 -4.82 118.33 108.92 1vd0 n VAL 85 Ca -0.23 -0.19 -0.38 0.00 -0.01 0.00 0.00 64.34 63.53 1vd0 n VAL 85 Cb 0.77 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 32.14 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 8.57 4.39 -4.75 7.52 0.00 0.47 -4.94 117.00 128.25 1vd0 n LEU 86 Ca 0.37 -3.65 -0.35 0.00 0.00 0.00 0.00 56.01 52.38 1vd0 n LEU 86 Cb 0.20 -1.72 0.04 0.00 0.00 0.00 0.00 43.42 41.95 1vd0 n LEU 86 CO 0.77 -0.48 0.81 0.26 0.00 0.00 0.00 177.39 178.75 1vd0 s TRP 87 N 6.50 2.40 0.44 1.96 0.52 -1.26 -4.75 118.94 124.76 1vd0 s TRP 87 Ca 0.59 1.54 -0.24 0.00 0.02 0.00 0.00 56.10 58.01 1vd0 s TRP 87 Cb 0.03 -3.40 -0.08 0.00 -1.15 0.00 0.00 33.47 28.88 1vd0 s TRP 87 CO 0.09 -2.12 1.17 -1.25 0.02 0.00 0.00 176.95 174.87 1vd0 s PRO 88 N -3.59 3.83 0.26 4.98 0.04 -1.26 -4.95 135.00 134.31 1vd0 s PRO 88 Ca 0.74 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 1vd0 s PRO 88 Cb -0.27 -2.48 0.33 0.00 0.04 0.00 0.00 34.50 32.12 1vd0 s PRO 88 CO 0.36 -0.50 1.76 1.05 0.04 0.00 0.00 177.00 179.71 1vd0 h GLU 89 N 2.20 0.81 -0.72 4.56 4.11 -1.93 -3.08 114.58 120.53 1vd0 h GLU 89 Ca -0.49 -0.21 0.22 0.00 0.07 0.00 0.00 59.36 58.95 1vd0 h GLU 89 Cb 1.24 -0.10 -0.13 0.00 0.50 0.00 0.00 28.75 30.26 1vd0 h GLU 89 CO 0.61 0.80 0.10 0.00 0.07 0.00 0.00 179.01 180.59 1vd0 n ALA 90 N -2.47 0.46 -2.12 1.06 0.00 -1.26 -3.86 120.51 112.30 1vd0 n ALA 90 Ca 0.03 0.76 -0.42 0.00 0.00 0.00 0.00 53.44 53.81 1vd0 n ALA 90 Cb 0.29 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 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 -5.50 2.84 0.15 0.00 0.00 -0.83 -4.83 121.76 113.59 1vd0 s ALA 91 Ca -0.09 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1vd0 s ALA 91 Cb 0.22 -4.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 1vd0 s ALA 91 CO 0.56 -2.73 1.35 1.03 0.00 0.00 0.00 175.76 175.97 1vd0 h SER 92 N 12.40 0.30 -3.44 0.00 0.87 -1.87 -3.43 113.55 118.37 1vd0 h SER 92 Ca -0.31 -0.25 -0.60 0.00 -1.23 0.00 0.00 61.79 59.41 1vd0 h SER 92 Cb 1.15 -0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 62.91 1vd0 h SER 92 CO 1.08 1.06 0.16 -0.62 -0.53 0.00 0.00 176.83 177.98 1vd0 s ASP 93 N -6.96 6.64 0.49 6.23 2.15 -1.26 -4.93 116.67 119.03 1vd0 s ASP 93 Ca -0.03 0.79 0.26 0.00 0.43 0.00 0.00 52.55 53.99 1vd0 s ASP 93 Cb 0.10 -2.35 1.23 0.00 -0.30 0.00 0.00 42.92 41.60 1vd0 s ASP 93 CO 0.84 -0.34 1.97 1.05 -0.17 0.00 0.00 175.17 178.52 1vd0 h GLU 94 N 7.70 0.00 0.00 4.34 4.11 -2.01 -2.11 114.58 126.61 1vd0 h GLU 94 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1vd0 h GLU 94 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1vd0 h GLU 94 CO 0.78 0.17 -0.21 1.15 0.07 0.00 0.00 179.01 180.97 1vd0 h THR 95 N 0.00 0.00 0.20 -1.06 2.02 -1.98 -3.07 112.91 109.03 1vd0 h THR 95 Ca -0.00 -0.90 -0.34 0.00 0.77 0.00 0.00 66.41 65.94 1vd0 h THR 95 Cb 0.51 1.79 0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1vd0 h THR 95 CO 0.02 0.00 -1.63 0.50 0.37 0.00 0.00 175.52 174.78 1vd0 h LYS 96 N 0.00 0.43 -0.37 6.66 3.64 -1.80 -2.95 116.57 122.18 1vd0 h LYS 96 Ca 0.00 -0.73 -0.10 0.00 -1.27 0.00 0.00 60.65 58.55 1vd0 h LYS 96 Cb 0.95 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1vd0 h LYS 96 CO 0.00 1.34 -0.15 1.57 -2.27 0.00 0.00 179.45 179.94 1vd0 h LYS 97 N 0.12 0.76 0.00 1.90 2.10 -1.56 -2.29 116.57 117.59 1vd0 h LYS 97 Ca -0.30 -0.32 -0.09 0.00 -2.00 0.00 0.00 60.65 57.94 1vd0 h LYS 97 Cb 2.12 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 33.40 1vd0 h LYS 97 CO 0.21 0.93 -0.42 0.07 -2.00 0.00 0.00 179.45 178.24 1vd0 h ARG 98 N 0.55 0.00 -0.11 0.07 0.11 -1.67 -2.28 114.38 111.05 1vd0 h ARG 98 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1vd0 h ARG 98 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 1vd0 h ARG 98 CO 0.05 0.42 0.00 2.41 0.10 0.00 0.00 179.97 182.95 1vd0 n THR 99 N -3.95 0.14 0.33 0.08 -1.04 -1.11 -4.12 114.28 104.61 1vd0 n THR 99 Ca -0.02 -0.26 0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1vd0 n THR 99 Cb 0.46 0.24 0.73 0.00 -1.82 0.00 0.00 70.33 69.93 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 4.00 1.42 -0.96 2.41 0.00 -0.82 0.41 119.26 125.72 1vd0 h ALA 100 Ca 0.00 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1vd0 h ALA 100 Cb 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.88 1vd0 h ALA 100 CO 0.00 -0.41 0.66 1.19 0.00 0.00 0.00 179.25 180.69 1vd0 n PHE 101 N -2.85 2.98 -2.21 0.00 3.72 -1.26 -3.52 117.46 114.31 1vd0 n PHE 101 Ca -0.02 -1.96 -0.42 0.00 -0.05 0.00 0.00 57.45 55.00 1vd0 n PHE 101 Cb 0.45 -0.99 -0.03 0.00 -0.94 0.00 0.00 39.48 37.98 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 -3.24 3.62 0.00 4.37 0.00 0.14 -2.66 121.76 123.99 1vd0 s ALA 102 Ca 0.56 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1vd0 s ALA 102 Cb 0.46 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1vd0 s ALA 102 CO 0.09 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1vd0 n GLY 103 N 3.80 0.67 3.48 0.00 0.00 -1.26 -4.91 105.19 106.97 1vd0 n GLY 103 Ca 0.15 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 1.68 -1.02 2.61 -4.23 -1.09 -5.02 115.64 106.58 1vd0 s THR 104 Ca 0.00 -2.09 0.19 0.00 -1.18 0.00 0.00 61.69 58.62 1vd0 s THR 104 Cb 0.00 -2.65 0.17 0.00 1.34 0.00 0.00 72.50 71.36 1vd0 s THR 104 CO 0.00 -0.17 1.62 0.00 -0.54 0.00 0.00 174.62 175.53 1vd0 n ALA 105 N -0.70 1.89 -2.30 3.99 0.00 -1.26 -4.75 120.51 117.38 1vd0 n ALA 105 Ca -0.05 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 1vd0 n ALA 105 Cb 0.65 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.98 4.57 -0.31 0.00 1.01 -1.26 -4.18 121.20 118.05 1vd0 s ILE 106 Ca 0.10 1.90 0.03 0.00 0.00 0.00 0.00 60.65 62.67 1vd0 s ILE 106 Cb 0.13 -4.24 0.08 0.00 0.01 0.00 0.00 42.46 38.43 1vd0 s ILE 106 CO 0.35 0.34 -0.01 -0.44 0.00 0.00 0.00 174.94 175.18 1vd0 s SER 107 N -0.07 4.68 -0.02 3.58 0.01 -1.21 -4.92 113.70 115.75 1vd0 s SER 107 Ca 0.43 -1.75 -0.15 0.00 1.31 0.00 0.00 55.95 55.79 1vd0 s SER 107 Cb -0.22 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.33 1vd0 s SER 107 CO 0.27 -0.30 0.41 -0.51 0.41 0.00 0.00 173.24 173.52 1vd0 s ILE 108 N 1.03 5.06 0.00 1.44 1.10 -1.26 -3.12 121.20 125.46 1vd0 s ILE 108 Ca 0.01 0.83 0.00 0.00 -0.51 0.00 0.00 60.65 60.98 1vd0 s ILE 108 Cb -0.20 -3.71 0.00 0.00 0.15 0.00 0.00 42.46 38.70 1vd0 s ILE 108 CO -0.06 0.55 0.35 1.33 -2.11 0.00 0.00 174.94 175.00