#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vn5 s VAL 3 N 0.00 0.84 0.55 2.28 1.01 -1.26 -0.89 120.40 122.93 2vn5 s VAL 3 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 2vn5 s VAL 3 Cb 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 2vn5 s VAL 3 CO 0.00 0.29 1.05 -0.76 0.00 0.00 0.00 175.10 175.68 2vn5 s LEU 4 N 0.79 3.64 0.23 3.92 1.43 -1.26 -4.91 118.68 122.52 2vn5 s LEU 4 Ca -0.13 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 54.72 2vn5 s LEU 4 Cb -0.15 -4.54 0.33 0.00 0.03 0.00 0.00 46.19 41.86 2vn5 s LEU 4 CO 0.02 -1.00 1.61 -0.65 0.23 0.00 0.00 176.35 176.56 2vn5 h PRO 5 N 0.90 0.02 0.00 1.29 0.11 -2.01 0.11 132.00 132.41 2vn5 h PRO 5 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2vn5 h PRO 5 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2vn5 h PRO 5 CO 0.58 0.01 0.12 0.36 -0.21 0.00 0.00 178.00 178.86 2vn5 n LYS 6 N -5.47 0.11 -4.26 1.05 2.85 -1.26 -5.17 118.16 106.01 2vn5 n LYS 6 Ca 0.11 0.60 -0.25 0.00 -1.05 0.00 0.00 58.31 57.72 2vn5 n LYS 6 Cb 0.40 -1.99 -0.08 0.00 -0.65 0.00 0.00 35.03 32.71 2vn5 n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2vn5 s ASP 7 N -3.74 4.30 -0.58 -5.58 1.01 0.37 -5.14 116.67 107.32 2vn5 s ASP 7 Ca -0.02 -1.01 -0.02 0.00 0.71 0.00 0.00 52.55 52.20 2vn5 s ASP 7 Cb 0.05 -0.54 -0.03 0.00 1.01 0.00 0.00 42.92 43.41 2vn5 s ASP 7 CO 0.16 -0.35 0.52 -0.67 0.21 0.00 0.00 175.17 175.04 2vn5 n ASP 11 N -1.07 -5.08 -3.73 0.27 2.03 -1.26 -4.77 116.55 102.94 2vn5 n ASP 11 Ca -0.03 -0.30 -0.14 0.00 0.52 0.00 0.00 54.79 54.84 2vn5 n ASP 11 Cb 0.63 -3.47 -0.08 0.00 -0.72 0.00 0.00 41.12 37.48 2vn5 n ASP 11 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2vn5 s SER 12 N -3.03 -0.25 0.15 1.67 1.04 -1.26 -4.74 113.70 107.27 2vn5 s SER 12 Ca 0.19 0.18 -0.30 0.00 0.48 0.00 0.00 55.95 56.49 2vn5 s SER 12 Cb -0.02 0.35 -0.07 0.00 0.10 0.00 0.00 66.02 66.37 2vn5 s SER 12 CO 0.45 -0.46 1.21 -0.22 0.98 0.00 0.00 173.24 175.21 2vn5 s LEU 13 N -1.28 4.42 -0.24 2.42 2.96 -0.85 -4.82 118.68 121.30 2vn5 s LEU 13 Ca -0.13 2.19 -0.10 0.00 -0.22 0.00 0.00 54.13 55.87 2vn5 s LEU 13 Cb -0.05 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 2vn5 s LEU 13 CO 0.05 -0.41 0.14 -0.54 -1.32 0.00 0.00 176.35 174.26 2vn5 s LYS 14 N 0.18 4.01 -0.13 1.98 -0.14 -0.48 -0.21 119.74 124.94 2vn5 s LYS 14 Ca 0.55 -0.30 0.01 0.00 -1.36 0.00 0.00 55.97 54.87 2vn5 s LYS 14 Cb -0.32 -3.49 0.02 0.00 -1.68 0.00 0.00 37.83 32.36 2vn5 s LYS 14 CO 0.34 0.05 -0.16 0.08 -0.76 0.00 0.00 175.35 174.90 2vn5 s VAL 15 N 1.08 1.66 -0.08 3.17 1.01 0.46 -1.20 120.40 126.49 2vn5 s VAL 15 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2vn5 s VAL 15 Cb -0.14 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.75 2vn5 s VAL 15 CO 0.04 0.47 -0.07 -0.89 0.00 0.00 0.00 175.10 174.66 2vn5 s THR 16 N 1.19 0.86 -0.02 3.92 2.01 -0.46 -1.10 115.64 122.04 2vn5 s THR 16 Ca -0.01 -0.24 -0.26 0.00 0.31 0.00 0.00 61.69 61.49 2vn5 s THR 16 Cb -0.14 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 2vn5 s THR 16 CO -0.06 0.32 0.82 -0.69 -0.69 0.00 0.00 174.62 174.32 2vn5 s VAL 17 N 1.35 4.91 0.00 3.82 1.01 -0.31 -0.94 120.40 130.25 2vn5 s VAL 17 Ca -0.03 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2vn5 s VAL 17 Cb -0.14 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2vn5 s VAL 17 CO -0.03 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2vn5 n GLY 18 N 2.88 0.19 3.11 4.51 0.00 0.01 -3.20 105.19 112.70 2vn5 n GLY 18 Ca 0.01 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.06 2vn5 n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vn5 s THR 19 N 0.38 0.82 0.04 2.61 -4.23 -1.26 -2.24 115.64 111.76 2vn5 s THR 19 Ca 0.00 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2vn5 s THR 19 Cb 0.00 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 73.00 2vn5 s THR 19 CO 0.00 -0.23 -0.01 0.00 -0.54 0.00 0.00 174.62 173.84 2vn5 s ALA 20 N -1.17 0.32 0.13 3.99 0.00 -1.00 -4.89 121.76 119.14 2vn5 s ALA 20 Ca -0.05 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2vn5 s ALA 20 Cb -0.09 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 2vn5 s ALA 20 CO 0.01 -0.30 -0.11 0.54 0.00 0.00 0.00 175.76 175.90 2vn5 s ASN 21 N -2.39 1.71 0.15 0.00 2.20 -1.26 -1.29 114.94 114.06 2vn5 s ASN 21 Ca -0.01 -0.93 -0.10 0.00 -0.94 0.00 0.00 52.86 50.88 2vn5 s ASN 21 Cb 0.02 -0.01 0.04 0.00 -2.00 0.00 0.00 41.25 39.29 2vn5 s ASN 21 CO -0.07 -0.29 0.49 0.61 -2.94 0.00 0.00 177.10 174.91 2vn5 n GLY 22 N 0.11 1.15 3.85 0.45 0.00 -0.64 -4.97 105.19 105.14 2vn5 n GLY 22 Ca -0.13 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 2vn5 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vn5 s LYS 23 N -2.04 3.00 0.13 1.61 1.02 -1.26 -1.28 119.74 120.93 2vn5 s LYS 23 Ca 0.11 -1.01 -0.35 0.00 0.02 0.00 0.00 55.97 54.74 2vn5 s LYS 23 Cb -0.02 -2.61 -0.17 0.00 -0.52 0.00 0.00 37.83 34.51 2vn5 s LYS 23 CO 0.04 0.39 1.15 -2.30 -0.92 0.00 0.00 175.35 173.72 2vn5 n PRO 24 N -1.22 0.90 0.00 -1.68 -0.02 -1.26 -1.19 135.00 130.53 2vn5 n PRO 24 Ca -0.08 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2vn5 n PRO 24 Cb 0.58 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 2vn5 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vn5 n GLY 25 N 2.07 3.29 3.77 -1.23 0.00 0.54 -4.99 105.19 108.63 2vn5 n GLY 25 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2vn5 n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vn5 s ASP 26 N -0.51 4.70 -0.12 1.61 1.01 -0.33 -4.67 116.67 118.37 2vn5 s ASP 26 Ca 0.00 1.90 -0.00 0.00 0.71 0.00 0.00 52.55 55.15 2vn5 s ASP 26 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2vn5 s ASP 26 CO 0.00 -1.90 -0.11 -0.89 0.21 0.00 0.00 175.17 172.48 2vn5 s THR 27 N -2.69 3.26 0.25 -1.27 2.01 -1.26 -0.41 115.64 115.53 2vn5 s THR 27 Ca 0.63 -0.60 0.07 0.00 0.31 0.00 0.00 61.69 62.11 2vn5 s THR 27 Cb -0.19 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 2vn5 s THR 27 CO 0.51 0.53 -0.10 0.68 -0.69 0.00 0.00 174.62 175.55 2vn5 s VAL 28 N 0.12 1.73 -0.12 3.82 -7.23 0.05 -4.96 120.40 113.81 2vn5 s VAL 28 Ca -0.05 -2.17 0.02 0.00 -1.81 0.00 0.00 61.98 57.96 2vn5 s VAL 28 Cb -0.15 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 2vn5 s VAL 28 CO 0.04 -0.41 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.35 2vn5 s THR 29 N -2.97 2.59 -0.25 5.32 2.01 -1.26 -1.41 115.64 119.67 2vn5 s THR 29 Ca 0.27 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.44 2vn5 s THR 29 Cb 0.02 -2.05 0.04 0.00 0.01 0.00 0.00 72.50 70.51 2vn5 s THR 29 CO 0.10 0.54 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.81 2vn5 s VAL 30 N 0.34 2.68 0.49 3.82 1.01 0.24 -4.64 120.40 124.33 2vn5 s VAL 30 Ca -0.15 -1.20 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 2vn5 s VAL 30 Cb -0.17 -2.41 -0.08 0.00 0.00 0.00 0.00 36.38 33.72 2vn5 s VAL 30 CO 0.07 0.13 0.93 -2.16 0.00 0.00 0.00 175.10 174.08 2vn5 s PRO 31 N 1.26 3.92 -0.19 2.72 0.04 -1.26 -1.11 135.00 140.38 2vn5 s PRO 31 Ca -0.02 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2vn5 s PRO 31 Cb -0.17 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.19 2vn5 s PRO 31 CO -0.05 -0.21 -0.17 0.08 0.04 0.00 0.00 177.00 176.69 2vn5 s VAL 32 N -2.55 2.23 -0.03 -0.36 1.01 0.61 -0.81 120.40 120.50 2vn5 s VAL 32 Ca 0.57 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2vn5 s VAL 32 Cb -0.10 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2vn5 s VAL 32 CO 0.31 0.49 -0.18 -0.89 0.00 0.00 0.00 175.10 174.83 2vn5 s THR 33 N 1.30 2.77 -0.03 3.92 2.01 -0.12 -0.06 115.64 125.44 2vn5 s THR 33 Ca 0.04 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.19 2vn5 s THR 33 Cb -0.14 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 2vn5 s THR 33 CO -0.11 0.57 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.01 2vn5 s PHE 34 N -0.72 3.05 0.04 4.92 0.40 0.25 -1.36 117.98 124.56 2vn5 s PHE 34 Ca 0.11 0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.49 2vn5 s PHE 34 Cb -0.10 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2vn5 s PHE 34 CO 0.00 0.43 0.04 0.00 0.70 0.00 0.00 175.22 176.39 2vn5 s ALA 35 N -0.98 0.13 -1.12 5.36 0.00 -0.34 -1.26 121.76 123.55 2vn5 s ALA 35 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2vn5 s ALA 35 Cb -0.11 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2vn5 s ALA 35 CO 0.06 -0.31 0.00 -0.25 0.00 0.00 0.00 175.76 175.26 2vn5 n ASP 36 N 0.70 -4.05 0.38 0.00 8.00 -1.26 -1.38 116.55 118.94 2vn5 n ASP 36 Ca -0.18 0.05 -0.19 0.00 0.71 0.00 0.00 54.79 55.17 2vn5 n ASP 36 Cb 0.59 -3.14 -0.09 0.00 -0.02 0.00 0.00 41.12 38.45 2vn5 n ASP 36 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2vn5 h VAL 37 N 0.00 0.09 -0.86 2.53 2.07 -1.88 -2.64 116.25 115.57 2vn5 h VAL 37 Ca -0.29 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2vn5 h VAL 37 Cb 1.15 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2vn5 h VAL 37 CO 0.36 0.00 0.50 0.00 0.02 0.00 0.00 177.57 178.44 2vn5 h ALA 38 N -0.92 1.26 -0.60 1.67 0.00 -1.91 -0.72 119.26 118.03 2vn5 h ALA 38 Ca -0.09 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.81 2vn5 h ALA 38 Cb 0.89 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2vn5 h ALA 38 CO 0.07 0.62 0.40 -0.22 0.00 0.00 0.00 179.25 180.12 2vn5 h LYS 39 N 1.19 0.43 -0.65 0.00 3.64 -1.93 -0.98 116.57 118.26 2vn5 h LYS 39 Ca 0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2vn5 h LYS 39 Cb -0.02 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2vn5 h LYS 39 CO -0.05 0.28 0.00 -1.33 -2.27 0.00 0.00 179.45 176.08 2vn5 n MET 40 N -4.47 3.17 -2.23 1.90 2.81 -0.77 -4.88 117.12 112.64 2vn5 n MET 40 Ca 0.10 -2.03 -0.07 0.00 -1.81 0.00 0.00 57.70 53.89 2vn5 n MET 40 Cb 0.35 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 2vn5 n MET 40 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2vn5 n LYS 41 N 0.61 -0.83 -0.43 0.03 4.81 -0.37 -4.74 118.16 117.24 2vn5 n LYS 41 Ca 0.18 0.31 0.06 0.00 -0.87 0.00 0.00 58.31 57.99 2vn5 n LYS 41 Cb 0.74 -4.09 -0.02 0.00 0.02 0.00 0.00 35.03 31.68 2vn5 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2vn5 n ASN 42 N 0.64 -2.56 -4.00 3.14 3.02 -0.35 -0.46 115.26 114.69 2vn5 n ASN 42 Ca -0.07 0.25 -0.30 0.00 -0.03 0.00 0.00 54.58 54.44 2vn5 n ASN 42 Cb 0.55 -1.35 -0.16 0.00 -0.61 0.00 0.00 39.78 38.21 2vn5 n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vn5 s VAL 43 N -1.99 1.55 -0.08 2.41 1.01 -0.54 -2.68 120.40 120.09 2vn5 s VAL 43 Ca 0.00 -0.77 0.20 0.00 0.00 0.00 0.00 61.98 61.41 2vn5 s VAL 43 Cb 0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 36.38 34.54 2vn5 s VAL 43 CO 0.00 0.32 0.34 0.61 0.00 0.00 0.00 175.10 176.37 2vn5 n GLY 44 N 4.75 -0.94 3.48 4.51 0.00 -0.48 -1.11 105.19 115.39 2vn5 n GLY 44 Ca -0.16 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 2vn5 n GLY 44 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2vn5 s THR 45 N -3.15 0.00 -0.05 2.61 -1.32 -1.17 -1.21 115.64 111.36 2vn5 s THR 45 Ca -0.08 -0.04 -0.29 0.00 -1.21 0.00 0.00 61.69 60.07 2vn5 s THR 45 Cb 0.11 -0.98 0.10 0.00 -1.51 0.00 0.00 72.50 70.22 2vn5 s THR 45 CO 0.84 -0.02 0.82 0.00 -2.21 0.00 0.00 174.62 174.04 2vn5 s ASN 47 N -1.63 0.69 0.31 0.00 4.22 -0.64 -1.14 114.94 116.75 2vn5 s ASN 47 Ca -0.03 -0.43 -0.19 0.00 -2.14 0.00 0.00 52.86 50.07 2vn5 s ASN 47 Cb -0.00 0.02 0.03 0.00 1.28 0.00 0.00 41.25 42.58 2vn5 s ASN 47 CO 0.00 -0.16 0.73 0.72 -2.04 0.00 0.00 177.10 176.35 2vn5 s PHE 48 N -1.10 -0.04 -0.04 1.54 -0.12 -1.07 -2.32 117.98 114.83 2vn5 s PHE 48 Ca -0.08 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 2vn5 s PHE 48 Cb -0.08 0.71 0.03 0.00 -0.63 0.00 0.00 43.02 43.05 2vn5 s PHE 48 CO 0.00 -1.33 -0.00 0.71 -0.05 0.00 0.00 175.22 174.55 2vn5 s TYR 49 N -3.41 0.42 0.05 3.49 2.02 -1.26 -1.20 117.35 117.46 2vn5 s TYR 49 Ca 0.13 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 2vn5 s TYR 49 Cb -0.05 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 2vn5 s TYR 49 CO 0.09 -0.17 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.36 2vn5 s LEU 50 N 1.19 3.35 0.04 -1.29 1.43 -0.14 -0.62 118.68 122.64 2vn5 s LEU 50 Ca -0.07 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 2vn5 s LEU 50 Cb -0.13 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2vn5 s LEU 50 CO -0.02 0.23 0.01 -0.83 0.23 0.00 0.00 176.35 175.97 2vn5 s GLY 51 N -1.87 1.91 0.10 -3.19 0.00 0.83 -0.50 107.32 104.59 2vn5 s GLY 51 Ca 0.21 -1.03 -0.03 0.00 0.00 0.00 0.00 44.72 43.88 2vn5 s GLY 51 CO 0.13 -0.95 0.07 -2.52 0.00 0.00 0.00 173.10 169.83 2vn5 s TYR 52 N -1.20 0.59 -0.51 1.90 -0.85 -0.16 -1.91 117.35 115.21 2vn5 s TYR 52 Ca 0.23 -1.04 -0.22 0.00 -0.52 0.00 0.00 57.07 55.52 2vn5 s TYR 52 Cb -0.12 -0.34 0.04 0.00 0.38 0.00 0.00 41.96 41.92 2vn5 s TYR 52 CO 0.15 -0.50 0.78 0.34 -1.52 0.00 0.00 175.55 174.80 2vn5 s ASP 53 N -2.97 6.31 0.28 -0.18 -1.08 -1.26 -4.49 116.67 113.28 2vn5 s ASP 53 Ca 0.15 -0.51 0.23 0.00 -0.52 0.00 0.00 52.55 51.89 2vn5 s ASP 53 Cb 0.07 -2.37 1.04 0.00 -1.46 0.00 0.00 42.92 40.21 2vn5 s ASP 53 CO -0.04 -1.02 1.69 0.00 0.52 0.00 0.00 175.17 176.32 2vn5 n ALA 54 N 6.79 1.43 0.98 3.66 0.00 -1.26 -1.09 120.51 131.02 2vn5 n ALA 54 Ca -0.01 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.69 2vn5 n ALA 54 Cb 0.47 -1.36 0.60 0.00 0.00 0.00 0.00 19.45 19.16 2vn5 n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vn5 n SER 55 N -2.24 0.00 0.00 0.00 3.41 -1.26 -4.11 113.62 109.41 2vn5 n SER 55 Ca 0.01 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2vn5 n SER 55 Cb 0.16 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2vn5 n SER 55 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vn5 n LEU 56 N -1.50 1.03 -4.13 1.04 4.32 -0.25 -4.81 117.00 112.71 2vn5 n LEU 56 Ca 0.07 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.88 2vn5 n LEU 56 Cb 0.33 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.00 2vn5 n LEU 56 CO 0.26 0.17 -0.45 -0.76 -1.22 0.00 0.00 177.39 175.40 2vn5 s LEU 57 N -4.26 2.22 -0.05 2.23 1.43 -0.36 -0.94 118.68 118.94 2vn5 s LEU 57 Ca 0.00 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 2vn5 s LEU 57 Cb 0.00 -0.47 -0.00 0.00 0.03 0.00 0.00 46.19 45.75 2vn5 s LEU 57 CO 0.00 -0.05 -0.17 -0.70 0.23 0.00 0.00 176.35 175.66 2vn5 s GLU 58 N -1.38 1.93 -0.07 1.70 2.12 -0.71 -4.26 118.70 118.03 2vn5 s GLU 58 Ca -0.02 -0.61 -0.27 0.00 0.36 0.00 0.00 54.97 54.43 2vn5 s GLU 58 Cb -0.09 -1.63 -0.03 0.00 0.26 0.00 0.00 34.13 32.65 2vn5 s GLU 58 CO 0.01 0.20 0.86 0.14 -0.54 0.00 0.00 175.26 175.94 2vn5 s VAL 59 N 0.18 4.92 -0.11 3.70 -7.23 -1.26 -0.72 120.40 119.87 2vn5 s VAL 59 Ca -0.07 1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 61.78 2vn5 s VAL 59 Cb -0.13 -4.19 -0.27 0.00 0.56 0.00 0.00 36.38 32.35 2vn5 s VAL 59 CO 0.03 0.15 0.44 0.58 -0.31 0.00 0.00 175.10 175.99 2vn5 h VAL 60 N 4.89 0.73 -2.26 1.32 2.07 -0.85 -3.47 116.25 118.68 2vn5 h VAL 60 Ca -0.38 -2.37 0.12 0.00 0.82 0.00 0.00 66.70 64.89 2vn5 h VAL 60 Cb 1.19 2.56 -0.15 0.00 -1.52 0.00 0.00 31.29 33.37 2vn5 h VAL 60 CO 0.78 0.85 0.50 -0.94 0.02 0.00 0.00 177.57 178.78 2vn5 s SER 61 N -7.09 -0.35 -0.08 0.57 1.04 -1.18 -4.99 113.70 101.62 2vn5 s SER 61 Ca -0.21 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 2vn5 s SER 61 Cb 0.06 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2vn5 s SER 61 CO 0.78 -0.62 0.02 -0.69 0.98 0.00 0.00 173.24 173.71 2vn5 s VAL 62 N -3.11 0.28 0.02 5.02 1.01 -1.26 -1.19 120.40 121.16 2vn5 s VAL 62 Ca 0.05 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2vn5 s VAL 62 Cb -0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2vn5 s VAL 62 CO -0.09 0.19 -0.16 -1.81 0.00 0.00 0.00 175.10 173.23 2vn5 s ASP 63 N 2.01 1.91 0.54 3.32 1.01 -0.39 -4.90 116.67 120.17 2vn5 s ASP 63 Ca 0.04 -0.40 -0.20 0.00 0.71 0.00 0.00 52.55 52.71 2vn5 s ASP 63 Cb -0.13 -0.17 -0.05 0.00 1.01 0.00 0.00 42.92 43.58 2vn5 s ASP 63 CO -0.05 0.13 1.19 0.00 0.21 0.00 0.00 175.17 176.64 2vn5 s ALA 64 N -0.63 2.72 0.69 5.23 0.00 -1.26 -0.77 121.76 127.74 2vn5 s ALA 64 Ca 0.05 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.98 2vn5 s ALA 64 Cb -0.07 -3.42 0.11 0.00 0.00 0.00 0.00 23.12 19.75 2vn5 s ALA 64 CO 0.01 -0.93 0.95 0.20 0.00 0.00 0.00 175.76 175.99 2vn5 s GLY 65 N -1.53 1.76 0.50 0.00 0.00 0.90 -4.69 107.32 104.25 2vn5 s GLY 65 Ca 0.72 -1.75 0.34 0.00 0.00 0.00 0.00 44.72 44.02 2vn5 s GLY 65 CO 0.33 -1.22 2.02 -0.56 0.00 0.00 0.00 173.10 173.67 2vn5 h PRO 66 N -0.39 0.00 0.00 2.90 0.13 -1.84 -2.06 132.00 130.74 2vn5 h PRO 66 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2vn5 h PRO 66 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2vn5 h PRO 66 CO 0.41 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 178.62 2vn5 n ILE 67 N -2.73 0.42 -3.30 -3.56 -5.35 -1.17 -4.70 119.36 98.96 2vn5 n ILE 67 Ca -0.01 -0.06 -0.41 0.00 -0.27 0.00 0.00 62.75 62.00 2vn5 n ILE 67 Cb 0.12 -0.65 -0.08 0.00 -1.74 0.00 0.00 39.64 37.28 2vn5 n ILE 67 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2vn5 s VAL 68 N -3.07 5.08 0.31 7.28 1.01 -0.78 -4.64 120.40 125.59 2vn5 s VAL 68 Ca 0.11 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.34 2vn5 s VAL 68 Cb 0.14 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 2vn5 s VAL 68 CO 0.52 -0.08 0.70 -0.54 0.00 0.00 0.00 175.10 175.69 2vn5 s LYS 69 N 2.24 3.95 -1.38 2.72 1.02 -1.26 -4.40 119.74 122.62 2vn5 s LYS 69 Ca 0.17 0.57 -0.04 0.00 0.02 0.00 0.00 55.97 56.69 2vn5 s LYS 69 Cb -0.16 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2vn5 s LYS 69 CO 0.12 0.18 0.42 -1.71 -0.92 0.00 0.00 175.35 173.44 2vn5 n ASN 70 N -0.36 -0.88 -0.11 2.83 5.15 -1.26 -4.59 115.26 116.05 2vn5 n ASN 70 Ca 0.03 -1.06 0.01 0.00 -0.60 0.00 0.00 54.58 52.96 2vn5 n ASN 70 Cb 0.53 -2.83 0.29 0.00 -0.53 0.00 0.00 39.78 37.24 2vn5 n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vn5 h ALA 71 N 0.87 1.46 -0.72 5.20 0.00 -1.95 0.14 119.26 124.26 2vn5 h ALA 71 Ca -0.64 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 2vn5 h ALA 71 Cb 1.38 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2vn5 h ALA 71 CO 0.61 0.44 0.44 0.00 0.00 0.00 0.00 179.25 180.74 2vn5 h ALA 72 N 1.55 1.41 0.18 0.00 0.00 -1.88 0.62 119.26 121.13 2vn5 h ALA 72 Ca 0.19 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 2vn5 h ALA 72 Cb 0.05 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 17.57 2vn5 h ALA 72 CO -0.03 0.51 -1.15 0.28 0.00 0.00 0.00 179.25 178.86 2vn5 h VAL 73 N 0.99 1.36 0.00 0.00 2.07 -1.70 -3.42 116.25 115.56 2vn5 h VAL 73 Ca 0.26 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.20 2vn5 h VAL 73 Cb -0.05 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2vn5 h VAL 73 CO -0.05 0.76 -1.18 0.59 0.02 0.00 0.00 177.57 177.70 2vn5 n ASN 74 N -3.94 0.57 -4.29 0.57 3.02 0.40 -4.91 115.26 106.68 2vn5 n ASN 74 Ca -0.17 -0.04 -0.31 0.00 -0.03 0.00 0.00 54.58 54.04 2vn5 n ASN 74 Cb 0.94 0.91 -0.16 0.00 -0.61 0.00 0.00 39.78 40.86 2vn5 n ASN 74 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2vn5 s PHE 75 N -3.29 2.39 0.01 3.10 5.36 0.19 -1.30 117.98 124.43 2vn5 s PHE 75 Ca 0.01 -0.56 -0.04 0.00 -0.96 0.00 0.00 56.93 55.37 2vn5 s PHE 75 Cb 0.13 -1.55 -0.01 0.00 -0.34 0.00 0.00 43.02 41.25 2vn5 s PHE 75 CO 0.82 -0.12 0.06 -1.12 -1.46 0.00 0.00 175.22 173.40 2vn5 s SER 76 N -0.40 0.11 0.21 6.13 0.01 0.72 -4.67 113.70 115.80 2vn5 s SER 76 Ca 0.04 -0.30 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 2vn5 s SER 76 Cb -0.12 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2vn5 s SER 76 CO 0.01 -0.31 0.42 -0.94 0.41 0.00 0.00 173.24 172.83 2vn5 s SER 77 N -1.30 -0.08 -0.18 2.44 1.04 -1.26 -0.69 113.70 113.67 2vn5 s SER 77 Ca -0.14 -0.83 -0.18 0.00 0.48 0.00 0.00 55.95 55.28 2vn5 s SER 77 Cb -0.08 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.62 2vn5 s SER 77 CO 0.00 -1.04 0.51 -0.55 0.98 0.00 0.00 173.24 173.14 2vn5 s SER 78 N -2.98 -0.52 -0.07 7.02 0.15 -0.73 -4.99 113.70 111.58 2vn5 s SER 78 Ca 0.18 0.98 0.02 0.00 0.70 0.00 0.00 55.95 57.83 2vn5 s SER 78 Cb 0.01 0.99 0.02 0.00 -1.71 0.00 0.00 66.02 65.33 2vn5 s SER 78 CO 0.04 -0.21 -0.10 0.00 1.20 0.00 0.00 173.24 174.17 2vn5 s ALA 79 N 0.13 1.14 -0.20 5.45 0.00 -1.26 -0.50 121.76 126.52 2vn5 s ALA 79 Ca -0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 2vn5 s ALA 79 Cb -0.04 -0.57 0.07 0.00 0.00 0.00 0.00 23.12 22.59 2vn5 s ALA 79 CO 0.01 0.03 0.47 0.45 0.00 0.00 0.00 175.76 176.72 2vn5 s SER 80 N 0.83 -0.56 -1.35 0.00 0.15 0.23 -4.99 113.70 108.02 2vn5 s SER 80 Ca -0.12 1.06 -0.21 0.00 0.70 0.00 0.00 55.95 57.39 2vn5 s SER 80 Cb -0.15 1.10 0.03 0.00 -1.71 0.00 0.00 66.02 65.29 2vn5 s SER 80 CO 0.02 -0.21 0.40 -3.20 1.20 0.00 0.00 173.24 171.45 2vn5 n ASN 81 N 4.62 -2.02 0.00 5.45 4.05 -1.26 -1.39 115.26 124.71 2vn5 n ASN 81 Ca -0.18 -1.29 0.00 0.00 0.45 0.00 0.00 54.58 53.55 2vn5 n ASN 81 Cb 0.54 -1.65 0.00 0.00 1.23 0.00 0.00 39.78 39.90 2vn5 n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2vn5 n GLY 82 N -2.30 0.70 3.09 8.20 0.00 -1.26 -4.94 105.19 108.69 2vn5 n GLY 82 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2vn5 n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vn5 s THR 83 N -2.62 1.48 -0.19 2.61 2.01 -0.48 -0.99 115.64 117.45 2vn5 s THR 83 Ca 0.00 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 2vn5 s THR 83 Cb 0.00 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 2vn5 s THR 83 CO 0.00 0.43 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.68 2vn5 s ILE 84 N 0.62 3.42 -0.15 1.82 1.01 0.34 -0.60 121.20 127.67 2vn5 s ILE 84 Ca -0.15 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2vn5 s ILE 84 Cb -0.16 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2vn5 s ILE 84 CO 0.04 0.45 0.05 -0.44 0.00 0.00 0.00 174.94 175.05 2vn5 s SER 85 N 1.09 5.60 -0.06 3.58 0.01 0.34 -0.97 113.70 123.29 2vn5 s SER 85 Ca 0.01 0.14 0.06 0.00 1.31 0.00 0.00 55.95 57.47 2vn5 s SER 85 Cb -0.15 -1.85 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 2vn5 s SER 85 CO -0.00 0.26 -0.25 -0.36 0.41 0.00 0.00 173.24 173.30 2vn5 s PHE 86 N -0.13 2.42 -0.03 2.43 0.08 -0.34 -1.78 117.98 120.62 2vn5 s PHE 86 Ca 0.07 -0.74 -0.01 0.00 0.12 0.00 0.00 56.93 56.37 2vn5 s PHE 86 Cb -0.12 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.77 2vn5 s PHE 86 CO 0.01 -0.23 0.04 -1.17 -0.10 0.00 0.00 175.22 173.77 2vn5 s LEU 87 N -0.12 0.65 -0.04 -0.37 2.96 0.13 -2.59 118.68 119.31 2vn5 s LEU 87 Ca -0.05 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 2vn5 s LEU 87 Cb -0.14 -0.14 -0.00 0.00 0.50 0.00 0.00 46.19 46.41 2vn5 s LEU 87 CO 0.04 -0.18 -0.16 0.12 -1.32 0.00 0.00 176.35 174.85 2vn5 s PHE 88 N 1.59 1.58 -0.09 5.38 5.36 -0.30 -0.20 117.98 131.30 2vn5 s PHE 88 Ca -0.02 -0.44 -0.04 0.00 -0.96 0.00 0.00 56.93 55.46 2vn5 s PHE 88 Cb -0.13 -1.07 0.05 0.00 -0.34 0.00 0.00 43.02 41.53 2vn5 s PHE 88 CO -0.03 -0.15 0.21 -1.17 -1.46 0.00 0.00 175.22 172.62 2vn5 s LEU 89 N 0.07 0.40 -0.49 6.12 2.96 -0.42 -1.10 118.68 126.22 2vn5 s LEU 89 Ca -0.04 0.45 -0.27 0.00 -0.22 0.00 0.00 54.13 54.05 2vn5 s LEU 89 Cb -0.11 0.59 -0.03 0.00 0.50 0.00 0.00 46.19 47.14 2vn5 s LEU 89 CO 0.02 -0.17 1.92 -0.62 -1.32 0.00 0.00 176.35 176.18 2vn5 s ASP 90 N 1.42 5.36 0.27 3.68 -1.08 -0.35 -4.47 116.67 121.50 2vn5 s ASP 90 Ca -0.07 0.80 0.24 0.00 -0.52 0.00 0.00 52.55 53.00 2vn5 s ASP 90 Cb -0.11 -2.52 0.98 0.00 -1.46 0.00 0.00 42.92 39.81 2vn5 s ASP 90 CO -0.08 -2.22 1.73 0.59 0.52 0.00 0.00 175.17 175.72 2vn5 n ASN 91 N 12.35 0.72 -0.01 -0.34 3.02 -1.26 -0.97 115.26 128.76 2vn5 n ASN 91 Ca 0.24 0.66 0.14 0.00 -0.03 0.00 0.00 54.58 55.59 2vn5 n ASN 91 Cb 0.51 -0.82 0.61 0.00 -0.61 0.00 0.00 39.78 39.47 2vn5 n ASN 91 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2vn5 n THR 92 N -2.28 0.00 0.00 3.41 -2.24 -1.26 -4.97 114.28 106.94 2vn5 n THR 92 Ca 0.02 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2vn5 n THR 92 Cb 0.25 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2vn5 n THR 92 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2vn5 n ILE 93 N -1.38 0.00 0.00 2.28 2.08 -0.14 -4.18 119.36 118.02 2vn5 n ILE 93 Ca 0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.41 2vn5 n ILE 93 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.20 2vn5 n ILE 93 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2vn5 n THR 94 N 0.00 0.00 0.51 1.39 -2.24 -1.26 -4.87 114.28 107.82 2vn5 n THR 94 Ca 0.00 -0.19 0.09 0.00 -2.27 0.00 0.00 64.05 61.67 2vn5 n THR 94 Cb 0.00 0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 2vn5 n THR 94 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2vn5 n ASP 95 N -1.26 0.83 -2.56 3.42 8.00 -1.26 -4.57 116.55 119.16 2vn5 n ASP 95 Ca 0.00 -0.57 -0.11 0.00 0.71 0.00 0.00 54.79 54.82 2vn5 n ASP 95 Cb 0.00 1.32 0.03 0.00 -0.02 0.00 0.00 41.12 42.45 2vn5 n ASP 95 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vn5 n GLU 96 N -1.69 2.26 -1.94 -1.24 1.02 -1.26 -5.09 120.64 112.70 2vn5 n GLU 96 Ca 0.01 -3.74 -0.33 0.00 -0.02 0.00 0.00 57.16 53.08 2vn5 n GLU 96 Cb 0.35 -1.76 0.03 0.00 -0.02 0.00 0.00 31.44 30.03 2vn5 n GLU 96 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2vn5 s LEU 97 N -3.56 3.48 -0.19 -4.62 1.43 -1.26 -4.66 118.68 109.29 2vn5 s LEU 97 Ca 0.35 1.93 -0.29 0.00 -1.03 0.00 0.00 54.13 55.09 2vn5 s LEU 97 Cb 0.38 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 42.06 2vn5 s LEU 97 CO -0.02 -1.37 1.09 -0.63 0.23 0.00 0.00 176.35 175.65 2vn5 s ILE 98 N -2.34 4.59 0.00 -0.59 1.01 -0.27 -4.86 121.20 118.74 2vn5 s ILE 98 Ca 0.66 1.91 0.00 0.00 0.00 0.00 0.00 60.65 63.22 2vn5 s ILE 98 Cb -0.19 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.05 2vn5 s ILE 98 CO 0.38 -0.14 0.00 0.35 0.00 0.00 0.00 174.94 175.53 2vn5 n THR 99 N 5.21 0.00 -4.12 2.92 -2.24 -1.26 -1.46 114.28 113.32 2vn5 n THR 99 Ca 0.12 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 2vn5 n THR 99 Cb 0.46 0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 69.33 2vn5 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vn5 s ALA 100 N -1.11 3.35 0.52 6.98 0.00 -1.26 -4.14 121.76 126.10 2vn5 s ALA 100 Ca 0.00 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 2vn5 s ALA 100 Cb 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 23.12 21.80 2vn5 s ALA 100 CO 0.00 0.71 1.05 -0.51 0.00 0.00 0.00 175.76 177.01 2vn5 s ASP 101 N -2.27 6.15 0.00 0.00 1.11 -1.26 -4.83 116.67 115.56 2vn5 s ASP 101 Ca 0.26 1.90 0.00 0.00 0.18 0.00 0.00 52.55 54.89 2vn5 s ASP 101 Cb -0.12 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.32 2vn5 s ASP 101 CO 0.18 -0.92 0.00 0.61 1.18 0.00 0.00 175.17 176.23 2vn5 n GLY 102 N -0.47 0.46 3.67 0.21 0.00 -0.39 -4.97 105.19 103.69 2vn5 n GLY 102 Ca 0.09 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 2vn5 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vn5 s VAL 103 N -2.95 4.92 -0.06 1.61 1.01 -1.26 -0.59 120.40 123.08 2vn5 s VAL 103 Ca 0.00 1.51 -0.16 0.00 0.00 0.00 0.00 61.98 63.32 2vn5 s VAL 103 Cb 0.00 -4.08 -0.30 0.00 0.00 0.00 0.00 36.38 32.00 2vn5 s VAL 103 CO 0.00 0.04 0.71 0.15 0.00 0.00 0.00 175.10 176.01 2vn5 h PHE 104 N 7.39 0.59 -3.02 5.22 3.57 -0.80 -3.05 116.94 126.84 2vn5 h PHE 104 Ca -0.30 -0.43 -0.10 0.00 3.53 0.00 0.00 57.97 60.67 2vn5 h PHE 104 Cb 1.13 -0.02 -0.19 0.00 2.79 0.00 0.00 35.95 39.66 2vn5 h PHE 104 CO 0.72 1.53 -0.22 0.00 -2.23 0.00 0.00 178.31 178.11 2vn5 s ALA 105 N -2.50 -0.85 -0.16 2.41 0.00 -1.08 -0.07 121.76 119.50 2vn5 s ALA 105 Ca -0.16 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2vn5 s ALA 105 Cb 0.04 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.33 2vn5 s ALA 105 CO 0.82 -0.33 -0.20 -0.80 0.00 0.00 0.00 175.76 175.26 2vn5 s ASN 106 N -1.57 3.25 -0.22 0.00 0.01 0.05 -0.29 114.94 116.16 2vn5 s ASN 106 Ca -0.10 -0.59 -0.10 0.00 -0.71 0.00 0.00 52.86 51.35 2vn5 s ASN 106 Cb -0.03 -1.49 -0.05 0.00 0.41 0.00 0.00 41.25 40.09 2vn5 s ASN 106 CO 0.02 0.05 0.14 -0.63 -1.51 0.00 0.00 177.10 175.17 2vn5 s ILE 107 N 1.02 5.32 -0.24 0.60 1.01 -0.27 -1.26 121.20 127.38 2vn5 s ILE 107 Ca -0.02 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 2vn5 s ILE 107 Cb -0.15 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2vn5 s ILE 107 CO -0.06 0.38 0.17 -0.54 0.00 0.00 0.00 174.94 174.89 2vn5 s LYS 108 N 0.81 4.07 -0.06 2.79 1.02 -0.34 -0.59 119.74 127.45 2vn5 s LYS 108 Ca 0.07 -0.25 0.05 0.00 0.02 0.00 0.00 55.97 55.86 2vn5 s LYS 108 Cb -0.13 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 2vn5 s LYS 108 CO 0.02 0.06 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.25 2vn5 s PHE 109 N 1.07 2.57 -0.06 3.18 0.08 -0.50 -0.09 117.98 124.23 2vn5 s PHE 109 Ca 0.08 -0.45 -0.15 0.00 0.12 0.00 0.00 56.93 56.53 2vn5 s PHE 109 Cb -0.14 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 2vn5 s PHE 109 CO 0.05 -0.03 0.39 0.21 -0.10 0.00 0.00 175.22 175.73 2vn5 s LYS 110 N -0.39 4.04 -0.06 0.44 2.20 0.10 -0.77 119.74 125.31 2vn5 s LYS 110 Ca 0.04 0.34 -0.15 0.00 -0.36 0.00 0.00 55.97 55.83 2vn5 s LYS 110 Cb -0.12 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2vn5 s LYS 110 CO 0.02 0.50 0.40 -0.51 -0.36 0.00 0.00 175.35 175.40 2vn5 s LEU 111 N -0.45 4.39 0.00 5.43 1.43 0.45 -1.74 118.68 128.19 2vn5 s LEU 111 Ca 0.23 0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 2vn5 s LEU 111 Cb -0.15 -2.56 0.11 0.00 0.03 0.00 0.00 46.19 43.61 2vn5 s LEU 111 CO 0.11 0.22 0.72 0.29 0.23 0.00 0.00 176.35 177.92 2vn5 n LYS 112 N 2.51 0.05 -2.50 1.70 5.02 -0.12 -0.34 118.16 124.49 2vn5 n LYS 112 Ca -0.12 -1.91 -0.37 0.00 -2.02 0.00 0.00 58.31 53.89 2vn5 n LYS 112 Cb 0.52 -0.49 -0.04 0.00 -0.02 0.00 0.00 35.03 35.00 2vn5 n LYS 112 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2vn5 s SER 113 N -3.91 6.74 0.01 4.39 0.15 -1.26 -4.42 113.70 115.39 2vn5 s SER 113 Ca 0.47 2.10 -0.01 0.00 0.70 0.00 0.00 55.95 59.20 2vn5 s SER 113 Cb -0.03 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 2vn5 s SER 113 CO 0.31 -0.51 0.01 0.68 1.20 0.00 0.00 173.24 174.93 2vn5 s VAL 114 N -1.60 0.09 -0.54 4.45 -7.23 -1.26 -4.94 120.40 109.38 2vn5 s VAL 114 Ca 0.57 -0.78 0.24 0.00 -1.81 0.00 0.00 61.98 60.20 2vn5 s VAL 114 Cb -0.24 -0.27 0.26 0.00 0.56 0.00 0.00 36.38 36.69 2vn5 s VAL 114 CO 0.30 -0.43 1.58 0.71 -0.31 0.00 0.00 175.10 176.95 2vn5 h THR 115 N 4.63 0.00 -3.02 5.32 1.35 -1.97 -3.45 112.91 115.76 2vn5 h THR 115 Ca -0.31 -0.78 0.06 0.00 -0.55 0.00 0.00 66.41 64.83 2vn5 h THR 115 Cb 1.21 1.68 -0.06 0.00 -1.73 0.00 0.00 68.15 69.25 2vn5 h THR 115 CO 0.42 0.00 0.22 0.00 -0.25 0.00 0.00 175.52 175.90 2vn5 s ALA 116 N -3.19 -1.21 -0.25 6.62 0.00 -1.26 -4.98 121.76 117.50 2vn5 s ALA 116 Ca 0.07 -0.27 -0.41 0.00 0.00 0.00 0.00 51.96 51.36 2vn5 s ALA 116 Cb 0.09 0.86 -0.17 0.00 0.00 0.00 0.00 23.12 23.90 2vn5 s ALA 116 CO 0.66 -1.01 1.63 1.17 0.00 0.00 0.00 175.76 178.22 2vn5 n LYS 117 N -0.45 0.92 -4.05 0.00 4.81 -1.26 -4.75 118.16 113.38 2vn5 n LYS 117 Ca -0.05 0.34 -0.22 0.00 -0.87 0.00 0.00 58.31 57.51 2vn5 n LYS 117 Cb 0.60 -1.98 -0.17 0.00 0.02 0.00 0.00 35.03 33.50 2vn5 n LYS 117 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2vn5 s THR 118 N 2.85 0.61 -0.35 3.15 2.01 -0.07 -4.99 115.64 118.85 2vn5 s THR 118 Ca 0.97 -0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.73 2vn5 s THR 118 Cb -1.13 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 2vn5 s THR 118 CO 0.65 0.27 0.26 -0.89 -0.69 0.00 0.00 174.62 174.22 2vn5 s THR 119 N 1.30 5.27 -0.19 -0.82 2.01 -1.26 0.11 115.64 122.07 2vn5 s THR 119 Ca -0.05 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 2vn5 s THR 119 Cb -0.14 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2vn5 s THR 119 CO -0.02 -0.07 0.04 0.28 -0.69 0.00 0.00 174.62 174.16 2vn5 s THR 120 N 1.74 4.48 0.39 -0.82 -1.32 0.71 -4.95 115.64 115.87 2vn5 s THR 120 Ca 0.06 -0.14 -0.18 0.00 -1.21 0.00 0.00 61.69 60.23 2vn5 s THR 120 Cb -0.18 -3.02 -0.10 0.00 -1.51 0.00 0.00 72.50 67.69 2vn5 s THR 120 CO 0.11 0.44 0.86 -2.16 -2.21 0.00 0.00 174.62 171.65 2vn5 s PRO 121 N 0.65 4.09 -0.27 7.08 0.04 -1.26 -0.89 135.00 144.43 2vn5 s PRO 121 Ca 0.02 0.89 0.03 0.00 0.04 0.00 0.00 61.00 61.98 2vn5 s PRO 121 Cb -0.13 -2.29 0.07 0.00 0.04 0.00 0.00 34.50 32.18 2vn5 s PRO 121 CO 0.02 0.02 -0.07 0.08 0.04 0.00 0.00 177.00 177.09 2vn5 s VAL 122 N -2.15 2.06 0.26 -0.36 1.01 -0.51 -4.42 120.40 116.29 2vn5 s VAL 122 Ca 0.58 -1.67 0.08 0.00 0.00 0.00 0.00 61.98 60.97 2vn5 s VAL 122 Cb -0.10 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 2vn5 s VAL 122 CO 0.17 -0.14 -0.12 0.42 0.00 0.00 0.00 175.10 175.43 2vn5 s THR 123 N 1.13 1.91 0.15 3.92 -4.23 -0.80 -1.36 115.64 116.36 2vn5 s THR 123 Ca -0.05 -2.22 -0.30 0.00 -1.18 0.00 0.00 61.69 57.94 2vn5 s THR 123 Cb -0.20 -2.30 -0.07 0.00 1.34 0.00 0.00 72.50 71.27 2vn5 s THR 123 CO -0.06 -0.41 1.09 -0.36 -0.54 0.00 0.00 174.62 174.34 2vn5 s PHE 124 N -2.85 3.61 0.28 3.99 0.08 -1.26 -0.12 117.98 121.71 2vn5 s PHE 124 Ca 0.27 1.60 0.06 0.00 0.12 0.00 0.00 56.93 58.98 2vn5 s PHE 124 Cb 0.00 -3.25 -0.02 0.00 -0.57 0.00 0.00 43.02 39.18 2vn5 s PHE 124 CO 0.11 -0.55 0.39 0.15 -0.10 0.00 0.00 175.22 175.23 2vn5 s LYS 125 N -0.10 3.25 0.41 0.44 1.02 0.21 -4.82 119.74 120.16 2vn5 s LYS 125 Ca 0.50 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 55.33 2vn5 s LYS 125 Cb -0.28 -2.83 -0.08 0.00 -0.52 0.00 0.00 37.83 34.12 2vn5 s LYS 125 CO 0.33 0.26 1.29 -0.51 -0.92 0.00 0.00 175.35 175.80 2vn5 s ASP 126 N -4.05 6.29 0.00 2.83 1.01 -1.26 -4.52 116.67 116.96 2vn5 s ASP 126 Ca 0.39 2.62 0.00 0.00 0.71 0.00 0.00 52.55 56.27 2vn5 s ASP 126 Cb -0.09 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.20 2vn5 s ASP 126 CO 0.30 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.42 2vn5 n GLY 127 N 0.66 3.97 0.00 0.21 0.00 -1.26 -4.87 105.19 103.90 2vn5 n GLY 127 Ca 0.04 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2vn5 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vn5 n GLY 128 N -1.51 -0.28 3.37 -0.02 0.00 -1.26 -4.52 105.19 100.95 2vn5 n GLY 128 Ca 0.00 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 2vn5 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn5 s ALA 129 N -1.42 -0.82 -0.05 4.61 0.00 -0.98 -4.97 121.76 118.14 2vn5 s ALA 129 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 51.82 2vn5 s ALA 129 Cb 0.00 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 2vn5 s ALA 129 CO 0.00 -0.68 -0.21 -0.06 0.00 0.00 0.00 175.76 174.81 2vn5 s PHE 130 N -3.84 2.52 0.04 0.00 0.08 -1.26 -1.62 117.98 113.91 2vn5 s PHE 130 Ca 0.06 -0.46 0.09 0.00 0.12 0.00 0.00 56.93 56.74 2vn5 s PHE 130 Cb 0.01 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 2vn5 s PHE 130 CO -0.09 -0.04 -0.25 0.20 -0.10 0.00 0.00 175.22 174.95 2vn5 s GLY 131 N -0.43 1.44 0.00 4.36 0.00 0.33 -0.86 107.32 112.16 2vn5 s GLY 131 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.51 2vn5 s GLY 131 CO 0.01 -1.15 0.00 2.09 0.00 0.00 0.00 173.10 174.06 2vn5 n ASP 132 N 1.73 0.00 0.00 1.64 5.68 0.28 -1.39 116.55 124.49 2vn5 n ASP 132 Ca -0.17 -0.77 0.08 0.00 -0.50 0.00 0.00 54.79 53.43 2vn5 n ASP 132 Cb 0.52 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.92 2vn5 n ASP 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vn5 n GLY 133 N 5.00 -0.94 1.01 6.12 0.00 0.40 -0.42 105.19 116.36 2vn5 n GLY 133 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.02 2vn5 n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vn5 n THR 134 N -1.36 2.11 -1.36 2.61 -2.24 -1.26 -4.83 114.28 107.95 2vn5 n THR 134 Ca 0.07 -1.64 -0.12 0.00 -2.27 0.00 0.00 64.05 60.08 2vn5 n THR 134 Cb 0.16 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 2vn5 n THR 134 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2vn5 n MET 135 N -0.11 -0.98 -3.91 -0.78 2.81 0.44 -5.00 117.12 109.59 2vn5 n MET 135 Ca 0.21 0.92 -0.33 0.00 -1.81 0.00 0.00 57.70 56.69 2vn5 n MET 135 Cb 0.86 -5.00 -0.05 0.00 -0.71 0.00 0.00 33.22 28.32 2vn5 n MET 135 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2vn5 s SER 136 N -2.78 6.37 0.20 7.83 0.01 -1.26 -4.67 113.70 119.40 2vn5 s SER 136 Ca 0.00 0.33 -0.32 0.00 1.31 0.00 0.00 55.95 57.27 2vn5 s SER 136 Cb 0.00 -1.99 -0.13 0.00 0.21 0.00 0.00 66.02 64.10 2vn5 s SER 136 CO 0.00 0.25 1.51 1.17 0.41 0.00 0.00 173.24 176.58 2vn5 n LYS 137 N 0.84 2.15 -3.02 12.44 4.81 -1.26 -0.55 118.16 133.56 2vn5 n LYS 137 Ca -0.10 0.77 -0.43 0.00 -0.87 0.00 0.00 58.31 57.69 2vn5 n LYS 137 Cb 0.52 -2.49 -0.06 0.00 0.02 0.00 0.00 35.03 33.02 2vn5 n LYS 137 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2vn5 s ILE 138 N 0.45 4.75 0.24 3.15 1.01 -0.04 -4.80 121.20 125.96 2vn5 s ILE 138 Ca 0.73 0.53 0.05 0.00 0.00 0.00 0.00 60.65 61.96 2vn5 s ILE 138 Cb -0.65 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 37.56 2vn5 s ILE 138 CO 0.43 -0.54 1.58 0.00 0.00 0.00 0.00 174.94 176.41 2vn5 h ALA 139 N 8.73 0.88 -3.07 9.38 0.00 -1.92 -3.42 119.26 129.83 2vn5 h ALA 139 Ca -0.25 -0.54 -0.67 0.00 0.00 0.00 0.00 54.91 53.45 2vn5 h ALA 139 Cb 1.09 -0.09 -0.33 0.00 0.00 0.00 0.00 17.79 18.46 2vn5 h ALA 139 CO 0.91 0.73 -0.82 -1.12 0.00 0.00 0.00 179.25 178.94 2vn5 s SER 140 N -6.89 3.46 -0.08 0.00 0.01 -1.26 -4.63 113.70 104.31 2vn5 s SER 140 Ca -0.04 -0.62 -0.01 0.00 1.31 0.00 0.00 55.95 56.60 2vn5 s SER 140 Cb 0.12 -1.54 0.03 0.00 0.21 0.00 0.00 66.02 64.83 2vn5 s SER 140 CO 0.79 -0.01 -0.03 -0.69 0.41 0.00 0.00 173.24 173.70 2vn5 s VAL 141 N 1.33 0.62 -0.33 3.43 1.01 -0.07 -2.01 120.40 124.38 2vn5 s VAL 141 Ca 0.05 -0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 2vn5 s VAL 141 Cb -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2vn5 s VAL 141 CO -0.10 0.29 0.76 -0.89 0.00 0.00 0.00 175.10 175.15 2vn5 s THR 142 N 1.70 4.80 -0.26 3.92 2.01 0.71 0.09 115.64 128.61 2vn5 s THR 142 Ca 0.02 1.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.99 2vn5 s THR 142 Cb -0.13 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2vn5 s THR 142 CO -0.05 -0.29 0.01 -0.54 -0.69 0.00 0.00 174.62 173.05 2vn5 s LYS 143 N 2.93 3.17 -0.13 4.92 1.02 -1.26 -0.40 119.74 129.99 2vn5 s LYS 143 Ca 0.31 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.53 2vn5 s LYS 143 Cb -0.14 -3.16 -0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2vn5 s LYS 143 CO 0.14 -0.33 -0.17 0.99 -0.92 0.00 0.00 175.35 175.05 2vn5 s THR 144 N 1.46 2.58 0.72 2.17 2.01 -0.25 -5.00 115.64 119.31 2vn5 s THR 144 Ca 0.03 -0.82 -0.11 0.00 0.31 0.00 0.00 61.69 61.10 2vn5 s THR 144 Cb -0.16 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.31 2vn5 s THR 144 CO -0.01 0.53 1.08 0.20 -0.69 0.00 0.00 174.62 175.73 2vn5 s ASN 145 N 0.57 5.31 0.00 3.53 0.01 -1.26 -1.16 114.94 121.95 2vn5 s ASN 145 Ca -0.10 1.27 0.00 0.00 -0.71 0.00 0.00 52.86 53.32 2vn5 s ASN 145 Cb -0.16 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.40 2vn5 s ASN 145 CO 0.04 -1.44 0.00 0.61 -1.51 0.00 0.00 177.10 174.80 2vn5 n GLY 146 N -2.62 6.41 3.66 0.66 0.00 -0.46 -4.58 105.19 108.26 2vn5 n GLY 146 Ca 0.07 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.36 2vn5 n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vn5 s SER 147 N 1.00 -0.14 -0.06 1.61 1.04 -0.95 -1.42 113.70 114.77 2vn5 s SER 147 Ca 0.00 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.25 2vn5 s SER 147 Cb 0.00 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 2vn5 s SER 147 CO 0.00 -0.58 -0.20 -0.69 0.98 0.00 0.00 173.24 172.76 2vn5 s VAL 148 N -2.85 1.67 -0.34 5.02 1.01 -0.07 -2.38 120.40 122.46 2vn5 s VAL 148 Ca 0.12 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 2vn5 s VAL 148 Cb 0.01 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2vn5 s VAL 148 CO -0.02 0.47 0.28 -0.89 0.00 0.00 0.00 175.10 174.94 2vn5 s THR 149 N 0.15 5.25 -0.30 3.92 2.01 -0.41 -0.21 115.64 126.05 2vn5 s THR 149 Ca -0.09 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 2vn5 s THR 149 Cb -0.14 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2vn5 s THR 149 CO 0.04 -0.02 0.18 -0.63 -0.69 0.00 0.00 174.62 173.51 2vn5 s ILE 150 N 1.83 5.09 -0.20 1.82 1.01 0.12 -1.63 121.20 129.24 2vn5 s ILE 150 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.69 2vn5 s ILE 150 Cb -0.17 -3.50 0.05 0.00 0.01 0.00 0.00 42.46 38.85 2vn5 s ILE 150 CO 0.11 0.17 -0.09 -0.62 0.00 0.00 0.00 174.94 174.51 2vn5 s ASP 151 N 1.71 3.39 0.00 3.58 -1.08 -0.40 -0.89 116.67 122.97 2vn5 s ASP 151 Ca 0.06 -0.90 0.27 0.00 -0.52 0.00 0.00 52.55 51.46 2vn5 s ASP 151 Cb -0.16 -1.17 1.61 0.00 -1.46 0.00 0.00 42.92 41.73 2vn5 s ASP 151 CO 0.09 -0.17 1.96 -0.81 0.52 0.00 0.00 175.17 176.77