#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vr8 s THR 2 N 0.00 0.85 0.07 0.00 2.01 -0.16 -5.00 115.64 113.41 2vr8 s THR 2 Ca 0.00 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.43 2vr8 s THR 2 Cb 0.00 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2vr8 s THR 2 CO 0.00 0.11 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.34 2vr8 s LYS 3 N -0.59 1.00 0.19 4.92 1.02 -1.26 -0.92 119.74 124.11 2vr8 s LYS 3 Ca 0.02 -0.96 -0.03 0.00 0.02 0.00 0.00 55.97 55.02 2vr8 s LYS 3 Cb -0.05 -1.10 -0.03 0.00 -0.52 0.00 0.00 37.83 36.12 2vr8 s LYS 3 CO 0.00 0.26 0.16 0.00 -0.92 0.00 0.00 175.35 174.85 2vr8 s ALA 4 N -1.07 0.88 0.07 5.17 0.00 -0.40 -0.99 121.76 125.42 2vr8 s ALA 4 Ca 0.02 -1.51 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 2vr8 s ALA 4 Cb -0.09 1.21 0.04 0.00 0.00 0.00 0.00 23.12 24.28 2vr8 s ALA 4 CO 0.02 -0.60 0.45 0.54 0.00 0.00 0.00 175.76 176.17 2vr8 s VAL 5 N -4.11 0.05 -0.10 0.00 0.11 0.10 -0.80 120.40 115.65 2vr8 s VAL 5 Ca 0.33 -0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 58.90 2vr8 s VAL 5 Cb 0.06 -1.01 0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2vr8 s VAL 5 CO 0.09 -0.23 0.25 0.00 -3.33 0.00 0.00 175.10 171.88 2vr8 s VAL 7 N 0.89 4.89 -0.18 0.00 1.01 -1.26 -1.07 120.40 124.68 2vr8 s VAL 7 Ca -0.06 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 2vr8 s VAL 7 Cb -0.07 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2vr8 s VAL 7 CO -0.06 0.16 0.32 -0.76 0.00 0.00 0.00 175.10 174.77 2vr8 s LEU 8 N 1.68 4.21 0.08 3.92 1.43 0.09 -3.85 118.68 126.24 2vr8 s LEU 8 Ca 0.06 0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 53.60 2vr8 s LEU 8 Cb -0.16 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2vr8 s LEU 8 CO 0.08 0.04 0.11 -0.54 0.23 0.00 0.00 176.35 176.28 2vr8 s LYS 9 N 0.75 0.78 0.00 1.70 1.02 -0.81 -1.64 119.74 121.55 2vr8 s LYS 9 Ca 0.17 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.07 2vr8 s LYS 9 Cb -0.14 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 2vr8 s LYS 9 CO 0.05 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 2vr8 n GLY 10 N -0.01 3.45 0.07 -3.33 0.00 -1.25 -1.05 105.19 103.07 2vr8 n GLY 10 Ca -0.14 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.20 2vr8 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vr8 n ASP 11 N 0.00 0.61 -0.31 1.61 8.00 -1.26 -4.91 116.55 120.30 2vr8 n ASP 11 Ca 0.00 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2vr8 n ASP 11 Cb 0.00 0.81 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 2vr8 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vr8 n GLY 12 N 1.27 1.71 0.48 0.44 0.00 -1.26 -5.03 105.19 102.80 2vr8 n GLY 12 Ca 0.00 -1.94 0.11 0.00 0.00 0.00 0.00 46.02 44.19 2vr8 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vr8 n PRO 13 N 0.00 1.64 -2.57 1.61 -0.04 -1.26 -4.90 135.00 129.47 2vr8 n PRO 13 Ca 0.00 -0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 62.08 2vr8 n PRO 13 Cb 0.00 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 2vr8 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2vr8 s VAL 14 N -1.83 4.51 -0.02 0.52 1.01 -1.26 -4.27 120.40 119.06 2vr8 s VAL 14 Ca 0.32 1.80 -0.18 0.00 0.00 0.00 0.00 61.98 63.92 2vr8 s VAL 14 Cb 0.17 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2vr8 s VAL 14 CO 0.26 0.03 0.39 0.00 0.00 0.00 0.00 175.10 175.78 2vr8 s GLN 15 N 1.89 0.75 0.10 2.72 -2.07 -0.82 -3.75 119.66 118.48 2vr8 s GLN 15 Ca 0.53 -0.09 -0.26 0.00 -1.82 0.00 0.00 55.36 53.72 2vr8 s GLN 15 Cb -0.22 0.34 0.08 0.00 -1.09 0.00 0.00 33.01 32.12 2vr8 s GLN 15 CO 0.22 -0.21 1.02 0.20 -1.32 0.00 0.00 175.29 175.20 2vr8 s GLY 16 N -1.28 -0.29 -0.09 2.60 0.00 -0.65 -0.71 107.32 106.90 2vr8 s GLY 16 Ca -0.13 0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.93 2vr8 s GLY 16 CO 0.05 0.06 -0.14 -0.42 0.00 0.00 0.00 173.10 172.66 2vr8 s ILE 17 N -3.09 1.32 -0.10 0.90 1.01 -0.72 -0.73 121.20 119.79 2vr8 s ILE 17 Ca 0.12 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2vr8 s ILE 17 Cb -0.00 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.26 2vr8 s ILE 17 CO 0.00 0.40 -0.21 -0.63 0.00 0.00 0.00 174.94 174.50 2vr8 s ILE 18 N 0.88 1.85 0.05 2.92 -1.09 -0.23 -2.15 121.20 123.43 2vr8 s ILE 18 Ca -0.10 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 2vr8 s ILE 18 Cb -0.15 -1.62 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 2vr8 s ILE 18 CO 0.01 0.51 0.10 0.20 -1.23 0.00 0.00 174.94 174.53 2vr8 s ASN 19 N 0.47 5.70 -0.00 3.58 0.01 0.70 -0.58 114.94 124.82 2vr8 s ASN 19 Ca -0.17 0.08 0.04 0.00 -0.71 0.00 0.00 52.86 52.10 2vr8 s ASN 19 Cb -0.17 -1.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.88 2vr8 s ASN 19 CO 0.07 0.20 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.36 2vr8 s PHE 20 N -1.36 1.22 -0.05 2.20 0.40 0.02 -1.35 117.98 119.07 2vr8 s PHE 20 Ca 0.29 -0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.33 2vr8 s PHE 20 Cb -0.12 -0.78 0.02 0.00 0.51 0.00 0.00 43.02 42.65 2vr8 s PHE 20 CO 0.21 -0.01 0.12 -2.00 0.70 0.00 0.00 175.22 174.24 2vr8 s GLU 21 N -0.45 0.13 -0.06 0.44 2.12 -0.30 -1.27 118.70 119.31 2vr8 s GLU 21 Ca 0.05 0.19 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 2vr8 s GLU 21 Cb -0.06 0.03 0.03 0.00 0.26 0.00 0.00 34.13 34.39 2vr8 s GLU 21 CO -0.00 -0.04 0.01 -1.14 -0.54 0.00 0.00 175.26 173.55 2vr8 s GLN 22 N 0.22 0.44 0.21 4.30 0.74 -0.09 -0.79 119.66 124.68 2vr8 s GLN 22 Ca -0.01 0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.56 2vr8 s GLN 22 Cb -0.02 -0.82 0.16 0.00 1.10 0.00 0.00 33.01 33.43 2vr8 s GLN 22 CO -0.01 -0.28 1.50 0.87 -0.55 0.00 0.00 175.29 176.83 2vr8 h LYS 23 N 8.19 0.34 -3.52 1.67 1.57 -1.84 -0.41 116.57 122.58 2vr8 h LYS 23 Ca -0.21 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.26 2vr8 h LYS 23 Cb 1.13 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 33.35 2vr8 h LYS 23 CO 0.27 0.87 -0.14 -1.83 -0.57 0.00 0.00 179.45 178.05 2vr8 s GLU 24 N -3.74 1.10 0.24 3.15 -1.05 -1.26 -3.58 118.70 113.56 2vr8 s GLU 24 Ca -0.05 -0.85 -0.31 0.00 -0.15 0.00 0.00 54.97 53.61 2vr8 s GLU 24 Cb 0.11 0.44 -0.14 0.00 -0.44 0.00 0.00 34.13 34.11 2vr8 s GLU 24 CO 0.82 -0.42 1.33 0.45 0.95 0.00 0.00 175.26 178.38 2vr8 n SER 25 N -0.22 2.39 0.00 0.83 2.88 -1.26 -1.29 113.62 116.95 2vr8 n SER 25 Ca -0.13 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2vr8 n SER 25 Cb 0.63 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2vr8 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2vr8 n ASN 26 N 1.96 -3.11 -4.81 -3.46 4.13 -1.26 -4.98 115.26 103.72 2vr8 n ASN 26 Ca 0.12 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.11 2vr8 n ASN 26 Cb 0.31 -2.51 0.09 0.00 -1.54 0.00 0.00 39.78 36.12 2vr8 n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2vr8 s GLY 27 N -2.00 1.70 0.49 7.41 0.00 -0.42 -5.01 107.32 109.49 2vr8 s GLY 27 Ca 0.00 -1.00 -0.24 0.00 0.00 0.00 0.00 44.72 43.48 2vr8 s GLY 27 CO 0.00 -0.53 1.39 -4.14 0.00 0.00 0.00 173.10 169.83 2vr8 s PRO 28 N -5.35 3.47 -0.22 2.90 0.02 -1.26 -4.81 135.00 129.75 2vr8 s PRO 28 Ca 0.63 2.33 -0.09 0.00 0.02 0.00 0.00 61.00 63.89 2vr8 s PRO 28 Cb -0.09 -2.49 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 2vr8 s PRO 28 CO 0.46 -0.96 0.10 0.08 -0.33 0.00 0.00 177.00 176.35 2vr8 s VAL 29 N -1.25 4.90 0.01 3.83 1.01 0.27 -4.31 120.40 124.86 2vr8 s VAL 29 Ca 0.65 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 2vr8 s VAL 29 Cb -0.42 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 2vr8 s VAL 29 CO 0.52 0.38 0.53 -0.54 0.00 0.00 0.00 175.10 176.00 2vr8 s LYS 30 N 0.95 4.20 -0.10 2.72 -0.14 0.03 -1.09 119.74 126.31 2vr8 s LYS 30 Ca 0.05 0.64 -0.00 0.00 -1.36 0.00 0.00 55.97 55.30 2vr8 s LYS 30 Cb -0.14 -3.29 0.02 0.00 -1.68 0.00 0.00 37.83 32.74 2vr8 s LYS 30 CO 0.03 0.50 -0.07 0.08 -0.76 0.00 0.00 175.35 175.13 2vr8 s VAL 31 N -0.57 0.93 0.08 3.17 1.01 0.04 -1.15 120.40 123.90 2vr8 s VAL 31 Ca 0.28 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 2vr8 s VAL 31 Cb -0.18 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.30 2vr8 s VAL 31 CO 0.16 0.35 0.55 -1.66 0.00 0.00 0.00 175.10 174.49 2vr8 s TRP 32 N 1.64 -0.45 -5.00 5.22 -2.14 -0.46 -0.95 118.94 116.80 2vr8 s TRP 32 Ca 0.03 0.42 0.00 0.00 2.66 0.00 0.00 56.10 59.21 2vr8 s TRP 32 Cb -0.13 0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.65 2vr8 s TRP 32 CO -0.07 -0.71 0.00 0.41 -2.66 0.00 0.00 176.95 173.92 2vr8 n GLY 33 N 0.14 -0.07 3.07 3.67 0.00 -0.99 -0.22 105.19 110.78 2vr8 n GLY 33 Ca -0.18 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 2vr8 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vr8 s SER 34 N -4.00 -0.14 -0.08 1.61 0.15 -0.92 -0.55 113.70 109.78 2vr8 s SER 34 Ca 0.00 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.91 2vr8 s SER 34 Cb 0.00 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.65 2vr8 s SER 34 CO 0.00 -0.12 -0.12 -0.63 1.20 0.00 0.00 173.24 173.57 2vr8 s ILE 35 N -0.20 1.14 0.40 6.45 1.01 -0.30 -1.75 121.20 127.95 2vr8 s ILE 35 Ca -0.03 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2vr8 s ILE 35 Cb -0.02 -1.06 -0.06 0.00 0.01 0.00 0.00 42.46 41.33 2vr8 s ILE 35 CO 0.01 0.36 0.14 -1.59 0.00 0.00 0.00 174.94 173.86 2vr8 s LYS 36 N 0.89 2.18 0.00 2.79 -2.85 0.11 -0.07 119.74 122.79 2vr8 s LYS 36 Ca -0.10 -1.86 0.00 0.00 -1.00 0.00 0.00 55.97 53.01 2vr8 s LYS 36 Cb -0.15 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 2vr8 s LYS 36 CO 0.01 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.80 2vr8 n GLY 37 N -1.17 0.63 3.92 0.59 0.00 -0.88 -1.95 105.19 106.33 2vr8 n GLY 37 Ca -0.02 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2vr8 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vr8 s LEU 38 N 0.00 4.31 0.42 0.99 1.43 -0.67 -4.21 118.68 120.94 2vr8 s LEU 38 Ca 0.00 0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 53.21 2vr8 s LEU 38 Cb 0.00 -3.08 -0.08 0.00 0.03 0.00 0.00 46.19 43.06 2vr8 s LEU 38 CO 0.00 0.09 1.25 0.42 0.23 0.00 0.00 176.35 178.34 2vr8 s THR 39 N -1.64 2.78 0.22 5.49 -4.23 -1.26 -4.06 115.64 112.95 2vr8 s THR 39 Ca 0.37 0.67 -0.32 0.00 -1.18 0.00 0.00 61.69 61.23 2vr8 s THR 39 Cb -0.12 -3.38 -0.13 0.00 1.34 0.00 0.00 72.50 70.21 2vr8 s THR 39 CO 0.27 0.07 1.58 1.21 -0.54 0.00 0.00 174.62 177.21 2vr8 n GLU 40 N -0.05 2.40 0.00 3.99 2.13 -1.26 -4.58 120.64 123.27 2vr8 n GLU 40 Ca 0.05 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.73 2vr8 n GLU 40 Cb 0.45 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.53 2vr8 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vr8 n GLY 41 N 2.97 0.03 3.80 8.31 0.00 -0.20 -4.94 105.19 115.16 2vr8 n GLY 41 Ca 0.14 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 2vr8 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vr8 s LEU 42 N 0.00 4.51 -0.04 0.99 1.43 -1.26 -0.82 118.68 123.48 2vr8 s LEU 42 Ca 0.00 1.49 0.02 0.00 -1.03 0.00 0.00 54.13 54.60 2vr8 s LEU 42 Cb 0.00 -3.28 0.02 0.00 0.03 0.00 0.00 46.19 42.96 2vr8 s LEU 42 CO 0.00 0.18 -0.07 -1.00 0.23 0.00 0.00 176.35 175.69 2vr8 s HIS 43 N -1.24 0.91 0.59 0.29 3.76 0.10 -2.75 115.29 116.95 2vr8 s HIS 43 Ca 0.36 -0.28 -0.20 0.00 -0.15 0.00 0.00 55.06 54.80 2vr8 s HIS 43 Cb -0.20 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.71 2vr8 s HIS 43 CO 0.23 -0.19 1.28 0.41 -0.85 0.00 0.00 174.74 175.62 2vr8 n GLY 44 N 3.86 0.53 2.84 -2.22 0.00 -0.03 -1.43 105.19 108.74 2vr8 n GLY 44 Ca -0.24 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2vr8 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2vr8 s PHE 45 N -1.35 -0.59 0.05 1.61 5.36 -1.26 -0.61 117.98 121.19 2vr8 s PHE 45 Ca 0.76 0.53 0.02 0.00 -0.96 0.00 0.00 56.93 57.29 2vr8 s PHE 45 Cb -0.41 -0.16 -0.03 0.00 -0.34 0.00 0.00 43.02 42.09 2vr8 s PHE 45 CO 0.45 -0.68 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.45 2vr8 s HIS 46 N 2.45 0.67 -0.29 10.12 3.76 -0.62 -2.96 115.29 128.42 2vr8 s HIS 46 Ca 0.10 -0.54 -0.19 0.00 -0.15 0.00 0.00 55.06 54.28 2vr8 s HIS 46 Cb -0.15 -0.40 -0.01 0.00 1.11 0.00 0.00 32.58 33.12 2vr8 s HIS 46 CO -0.15 -0.10 0.58 0.08 -0.85 0.00 0.00 174.74 174.30 2vr8 s VAL 47 N -1.59 4.99 0.29 -0.90 1.01 -0.47 -0.77 120.40 122.97 2vr8 s VAL 47 Ca -0.08 0.81 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 2vr8 s VAL 47 Cb -0.09 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2vr8 s VAL 47 CO -0.00 -0.07 0.54 -1.00 0.00 0.00 0.00 175.10 174.57 2vr8 s HIS 48 N 2.48 3.48 0.18 5.22 3.76 0.52 -0.91 115.29 130.03 2vr8 s HIS 48 Ca 0.23 0.58 -0.13 0.00 -0.15 0.00 0.00 55.06 55.59 2vr8 s HIS 48 Cb -0.15 -2.06 0.09 0.00 1.11 0.00 0.00 32.58 31.56 2vr8 s HIS 48 CO 0.11 0.17 1.82 1.49 -0.85 0.00 0.00 174.74 177.48 2vr8 h GLU 49 N 1.57 0.81 -5.92 1.40 4.81 -0.78 -2.84 114.58 113.62 2vr8 h GLU 49 Ca -0.48 -0.07 -0.68 0.00 -0.13 0.00 0.00 59.36 58.00 2vr8 h GLU 49 Cb 1.19 -0.17 -0.13 0.00 0.63 0.00 0.00 28.75 30.27 2vr8 h GLU 49 CO 0.66 0.58 -0.59 -0.06 -0.73 0.00 0.00 179.01 178.86 2vr8 s PHE 50 N -5.98 3.25 -0.39 0.92 0.08 -0.23 -4.69 117.98 110.94 2vr8 s PHE 50 Ca -0.13 0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 2vr8 s PHE 50 Cb 0.13 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2vr8 s PHE 50 CO 0.76 0.53 2.79 0.41 -0.10 0.00 0.00 175.22 179.61 2vr8 n GLY 51 N 2.01 4.16 3.17 4.36 0.00 -1.02 -3.29 105.19 114.58 2vr8 n GLY 51 Ca -0.18 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 2vr8 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vr8 s ASP 52 N 0.53 5.05 -0.27 1.61 -1.08 -1.26 -4.94 116.67 116.31 2vr8 s ASP 52 Ca 0.57 -1.48 0.10 0.00 -0.52 0.00 0.00 52.55 51.22 2vr8 s ASP 52 Cb 0.36 -1.77 0.49 0.00 -1.46 0.00 0.00 42.92 40.55 2vr8 s ASP 52 CO -0.17 -0.35 1.42 0.59 0.52 0.00 0.00 175.17 177.18 2vr8 n ASN 53 N 4.63 2.46 0.21 -0.34 5.03 -1.26 -2.77 115.26 123.23 2vr8 n ASN 53 Ca -0.10 -3.73 0.07 0.00 0.87 0.00 0.00 54.58 51.69 2vr8 n ASN 53 Cb 0.43 -0.61 0.58 0.00 -1.02 0.00 0.00 39.78 39.16 2vr8 n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2vr8 h THR 54 N 1.03 1.04 -1.12 3.41 1.35 -1.92 -1.62 112.91 115.07 2vr8 h THR 54 Ca 0.17 -0.15 -0.61 0.00 -0.55 0.00 0.00 66.41 65.28 2vr8 h THR 54 Cb 1.55 0.98 -0.38 0.00 -1.73 0.00 0.00 68.15 68.56 2vr8 h THR 54 CO 0.32 0.05 -0.25 0.00 -0.25 0.00 0.00 175.52 175.39 2vr8 n ALA 55 N -2.52 5.46 -0.62 6.62 0.00 -1.26 -5.07 120.51 123.11 2vr8 n ALA 55 Ca -0.02 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.52 2vr8 n ALA 55 Cb 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2vr8 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vr8 n GLY 56 N -0.68 0.36 0.20 0.00 0.00 -0.61 -3.30 105.19 101.16 2vr8 n GLY 56 Ca 0.48 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.79 2vr8 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vr8 h THR 58 N 0.00 0.95 0.00 0.00 1.35 -1.89 -2.49 112.91 110.83 2vr8 h THR 58 Ca 0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2vr8 h THR 58 Cb 0.38 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2vr8 h THR 58 CO 0.00 0.23 0.00 -1.20 -0.25 0.00 0.00 175.52 174.30 2vr8 n SER 59 N -3.95 0.00 0.00 5.36 7.64 -1.15 -3.81 113.62 117.71 2vr8 n SER 59 Ca -0.02 0.19 0.11 0.00 1.01 0.00 0.00 58.87 60.16 2vr8 n SER 59 Cb 0.31 -0.38 0.50 0.00 -1.01 0.00 0.00 64.21 63.64 2vr8 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vr8 n ALA 60 N -1.38 2.06 -0.11 -0.43 0.00 -0.94 -4.51 120.51 115.20 2vr8 n ALA 60 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vr8 n ALA 60 Cb 0.22 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2vr8 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vr8 n GLY 61 N 0.65 -1.53 3.03 0.00 0.00 -1.25 -1.07 105.19 105.02 2vr8 n GLY 61 Ca 0.08 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 2vr8 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vr8 n PRO 62 N -0.08 -0.79 -1.82 1.61 -0.04 -1.26 -4.61 135.00 128.01 2vr8 n PRO 62 Ca 0.00 -1.73 -0.39 0.00 -0.04 0.00 0.00 63.50 61.34 2vr8 n PRO 62 Cb 0.00 -0.95 0.03 0.00 -0.04 0.00 0.00 33.50 32.54 2vr8 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2vr8 s HIS 63 N -3.08 2.39 -0.01 0.54 3.76 -1.26 -0.70 115.29 116.92 2vr8 s HIS 63 Ca 0.58 1.34 -0.30 0.00 -0.15 0.00 0.00 55.06 56.53 2vr8 s HIS 63 Cb -0.02 -3.82 -0.07 0.00 1.11 0.00 0.00 32.58 29.78 2vr8 s HIS 63 CO 0.40 -2.82 1.80 0.12 -0.85 0.00 0.00 174.74 173.38 2vr8 s PHE 64 N -1.28 1.66 -0.45 1.40 5.36 -0.09 -4.48 117.98 120.10 2vr8 s PHE 64 Ca 0.67 -0.11 0.07 0.00 -0.96 0.00 0.00 56.93 56.60 2vr8 s PHE 64 Cb -0.41 -4.07 0.28 0.00 -0.34 0.00 0.00 43.02 38.48 2vr8 s PHE 64 CO 0.50 -4.64 0.90 -1.71 -1.46 0.00 0.00 175.22 168.81 2vr8 n ASN 65 N 7.32 -1.90 0.30 6.13 5.15 -1.26 -1.43 115.26 129.56 2vr8 n ASN 65 Ca 0.18 -3.33 0.20 0.00 -0.60 0.00 0.00 54.58 51.03 2vr8 n ASN 65 Cb 0.42 1.27 0.96 0.00 -0.53 0.00 0.00 39.78 41.91 2vr8 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2vr8 h PRO 66 N 3.56 0.00 -0.48 1.20 0.13 -1.95 -2.13 132.00 132.33 2vr8 h PRO 66 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2vr8 h PRO 66 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2vr8 h PRO 66 CO 0.30 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.35 2vr8 n LEU 67 N -3.02 3.72 -3.78 1.56 4.77 -1.26 -4.98 117.00 114.02 2vr8 n LEU 67 Ca -0.01 -2.28 -0.24 0.00 -0.03 0.00 0.00 56.01 53.45 2vr8 n LEU 67 Cb 0.17 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2vr8 n LEU 67 CO 0.22 0.79 -0.04 -1.20 -1.33 0.00 0.00 177.39 175.83 2vr8 n SER 68 N 0.70 -1.96 -4.85 -1.43 7.64 -0.80 -4.99 113.62 107.92 2vr8 n SER 68 Ca 0.19 -0.83 -0.24 0.00 1.01 0.00 0.00 58.87 59.00 2vr8 n SER 68 Cb 0.65 -3.91 0.07 0.00 -1.01 0.00 0.00 64.21 60.01 2vr8 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2vr8 s ARG 69 N -6.19 2.13 0.62 1.43 0.52 -1.26 -5.09 118.95 111.10 2vr8 s ARG 69 Ca 0.17 -0.59 -0.14 0.00 -0.52 0.00 0.00 55.73 54.64 2vr8 s ARG 69 Cb -0.08 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 2vr8 s ARG 69 CO 0.82 -1.17 1.05 0.15 0.02 0.00 0.00 175.30 176.18 2vr8 s LYS 70 N -5.10 3.26 0.26 3.54 1.02 -1.26 -4.75 119.74 116.70 2vr8 s LYS 70 Ca 0.61 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 57.41 2vr8 s LYS 70 Cb -0.09 -2.03 -0.10 0.00 -0.52 0.00 0.00 37.83 35.09 2vr8 s LYS 70 CO 0.43 -0.85 1.37 -1.58 -0.92 0.00 0.00 175.35 173.80 2vr8 s HIS 71 N -2.65 3.09 0.24 3.18 5.65 -0.09 -2.89 115.29 121.82 2vr8 s HIS 71 Ca 0.61 1.18 -0.00 0.00 0.25 0.00 0.00 55.06 57.10 2vr8 s HIS 71 Cb -0.15 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 27.53 2vr8 s HIS 71 CO 0.42 -2.25 0.31 0.41 -0.65 0.00 0.00 174.74 172.98 2vr8 n GLY 72 N 1.89 2.58 3.93 1.59 0.00 -1.25 -4.38 105.19 109.55 2vr8 n GLY 72 Ca 0.05 -1.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 2vr8 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vr8 s GLY 73 N -2.49 1.64 0.46 -0.02 0.00 -1.06 -4.59 107.32 101.27 2vr8 s GLY 73 Ca 0.21 -0.86 0.15 0.00 0.00 0.00 0.00 44.72 44.22 2vr8 s GLY 73 CO 0.15 -0.57 2.03 -0.56 0.00 0.00 0.00 173.10 174.15 2vr8 h PRO 74 N -0.15 0.00 -0.01 2.90 0.13 -1.86 -1.38 132.00 131.63 2vr8 h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2vr8 h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2vr8 h PRO 74 CO 0.59 0.15 -0.08 1.63 -0.23 0.00 0.00 178.00 180.06 2vr8 n LYS 75 N -4.33 1.25 -2.79 0.86 5.02 -1.26 -4.91 118.16 112.00 2vr8 n LYS 75 Ca -0.03 -0.64 -0.38 0.00 -2.02 0.00 0.00 58.31 55.24 2vr8 n LYS 75 Cb 0.21 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 2vr8 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vr8 s ASP 76 N -2.19 7.47 0.30 4.39 1.01 -0.52 -4.97 116.67 122.16 2vr8 s ASP 76 Ca 0.34 1.86 -0.00 0.00 0.71 0.00 0.00 52.55 55.46 2vr8 s ASP 76 Cb 0.21 -2.58 0.46 0.00 1.01 0.00 0.00 42.92 42.01 2vr8 s ASP 76 CO 0.40 0.06 1.87 -0.33 0.21 0.00 0.00 175.17 177.38 2vr8 h GLU 77 N 3.70 0.82 -4.69 8.23 5.08 -1.91 -3.35 114.58 122.46 2vr8 h GLU 77 Ca -0.46 -0.14 -0.71 0.00 -1.00 0.00 0.00 59.36 57.06 2vr8 h GLU 77 Cb 1.20 -0.14 -0.20 0.00 0.50 0.00 0.00 28.75 30.11 2vr8 h GLU 77 CO 0.66 0.70 0.27 -2.00 -1.00 0.00 0.00 179.01 177.64 2vr8 s GLU 78 N -5.33 3.22 0.13 2.33 2.56 -1.26 -4.96 118.70 115.39 2vr8 s GLU 78 Ca -0.10 -1.51 -0.12 0.00 0.00 0.00 0.00 54.97 53.24 2vr8 s GLU 78 Cb 0.16 -4.40 0.01 0.00 2.00 0.00 0.00 34.13 31.90 2vr8 s GLU 78 CO 0.79 -1.57 0.31 -0.98 -0.56 0.00 0.00 175.26 173.24 2vr8 s ARG 79 N 2.46 1.05 0.54 4.30 1.70 -1.23 -3.88 118.95 123.89 2vr8 s ARG 79 Ca 0.17 -0.95 -0.18 0.00 -0.47 0.00 0.00 55.73 54.30 2vr8 s ARG 79 Cb -0.18 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.54 2vr8 s ARG 79 CO 0.02 -0.39 1.05 -1.01 -1.08 0.00 0.00 175.30 173.89 2vr8 s HIS 80 N -3.88 3.01 0.28 5.89 3.76 -1.14 -4.77 115.29 118.44 2vr8 s HIS 80 Ca 0.09 1.54 0.01 0.00 -0.15 0.00 0.00 55.06 56.54 2vr8 s HIS 80 Cb 0.03 -3.03 0.56 0.00 1.11 0.00 0.00 32.58 31.25 2vr8 s HIS 80 CO -0.07 -0.96 1.81 0.28 -0.85 0.00 0.00 174.74 174.95 2vr8 h VAL 81 N 0.98 0.84 0.00 -0.90 2.07 -1.74 -2.45 116.25 115.04 2vr8 h VAL 81 Ca -0.48 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2vr8 h VAL 81 Cb 1.22 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2vr8 h VAL 81 CO 0.58 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.94 2vr8 n GLY 82 N -1.33 -0.32 3.44 2.17 0.00 -0.52 -4.28 105.19 104.36 2vr8 n GLY 82 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2vr8 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vr8 s ASP 83 N -0.82 7.00 0.58 1.61 1.01 -0.93 -1.36 116.67 123.76 2vr8 s ASP 83 Ca 0.00 -2.86 -0.08 0.00 0.71 0.00 0.00 52.55 50.32 2vr8 s ASP 83 Cb 0.00 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.54 2vr8 s ASP 83 CO 0.00 -0.75 0.93 -0.76 0.21 0.00 0.00 175.17 174.80 2vr8 s LEU 84 N 1.44 3.31 0.33 1.23 1.43 -1.16 -3.96 118.68 121.31 2vr8 s LEU 84 Ca 0.39 1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 54.24 2vr8 s LEU 84 Cb -0.04 -3.96 -0.12 0.00 0.03 0.00 0.00 46.19 42.10 2vr8 s LEU 84 CO -0.03 -0.90 1.28 -1.14 0.23 0.00 0.00 176.35 175.79 2vr8 n ARG 85 N -2.59 2.08 -1.57 1.70 0.63 -1.26 -4.59 116.66 111.06 2vr8 n ARG 85 Ca 0.04 0.73 -0.40 0.00 -0.92 0.00 0.00 57.85 57.30 2vr8 n ARG 85 Cb 0.56 -2.30 0.02 0.00 0.45 0.00 0.00 32.46 31.19 2vr8 n ARG 85 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2vr8 n ASN 86 N 0.85 0.48 -4.91 6.15 3.02 -1.26 -4.50 115.26 115.09 2vr8 n ASN 86 Ca 0.05 0.92 -0.28 0.00 -0.03 0.00 0.00 54.58 55.25 2vr8 n ASN 86 Cb 0.36 -1.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.20 2vr8 n ASN 86 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2vr8 s VAL 87 N -1.42 5.07 -0.21 2.41 -7.23 -0.52 -4.88 120.40 113.62 2vr8 s VAL 87 Ca 0.67 -0.07 0.02 0.00 -1.81 0.00 0.00 61.98 60.78 2vr8 s VAL 87 Cb -0.52 -3.74 0.04 0.00 0.56 0.00 0.00 36.38 32.72 2vr8 s VAL 87 CO 0.55 -0.31 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.00 2vr8 s THR 88 N -2.06 1.93 -0.00 5.32 2.01 -1.26 -0.72 115.64 120.86 2vr8 s THR 88 Ca 0.42 -1.15 -0.17 0.00 0.31 0.00 0.00 61.69 61.11 2vr8 s THR 88 Cb -0.11 -1.92 -0.06 0.00 0.01 0.00 0.00 72.50 70.43 2vr8 s THR 88 CO 0.30 0.25 0.47 0.00 -0.69 0.00 0.00 174.62 174.95 2vr8 s ALA 89 N 1.28 3.62 0.86 7.40 0.00 -0.00 -4.14 121.76 130.78 2vr8 s ALA 89 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 2vr8 s ALA 89 Cb -0.16 -2.51 0.07 0.00 0.00 0.00 0.00 23.12 20.52 2vr8 s ALA 89 CO -0.09 0.37 0.43 -0.40 0.00 0.00 0.00 175.76 176.07 2vr8 n ASP 90 N 2.14 0.16 0.30 0.00 5.68 -0.13 -1.03 116.55 123.67 2vr8 n ASP 90 Ca -0.12 -1.23 0.19 0.00 -0.50 0.00 0.00 54.79 53.13 2vr8 n ASP 90 Cb 0.52 -0.32 0.93 0.00 -1.14 0.00 0.00 41.12 41.11 2vr8 n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2vr8 h LYS 91 N 0.00 0.00 -0.32 0.11 2.10 -1.97 -0.39 116.57 116.10 2vr8 h LYS 91 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2vr8 h LYS 91 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2vr8 h LYS 91 CO 0.11 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.34 2vr8 n ASP 92 N -3.21 2.31 0.00 7.07 8.00 -1.26 -4.91 116.55 124.55 2vr8 n ASP 92 Ca -0.01 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.61 2vr8 n ASP 92 Cb 0.19 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 2vr8 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vr8 n GLY 93 N 1.24 0.50 3.38 0.44 0.00 -0.16 -4.73 105.19 105.88 2vr8 n GLY 93 Ca 0.16 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 2vr8 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vr8 s VAL 94 N -2.00 3.46 -0.36 1.61 1.01 -1.26 -1.68 120.40 121.19 2vr8 s VAL 94 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2vr8 s VAL 94 Cb 0.00 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.86 2vr8 s VAL 94 CO 0.00 0.47 0.21 0.00 0.00 0.00 0.00 175.10 175.78 2vr8 s ALA 95 N 0.87 3.35 -0.49 5.51 0.00 0.90 -0.96 121.76 130.95 2vr8 s ALA 95 Ca -0.01 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.14 2vr8 s ALA 95 Cb -0.15 -2.59 0.03 0.00 0.00 0.00 0.00 23.12 20.41 2vr8 s ALA 95 CO 0.01 -1.20 0.82 -0.51 0.00 0.00 0.00 175.76 174.88 2vr8 s ASP 96 N 1.62 6.37 -0.11 0.00 -0.00 -1.26 -1.15 116.67 122.14 2vr8 s ASP 96 Ca 0.04 -0.26 -0.19 0.00 -0.00 0.00 0.00 52.55 52.14 2vr8 s ASP 96 Cb -0.18 -2.39 -0.04 0.00 -0.00 0.00 0.00 42.92 40.30 2vr8 s ASP 96 CO 0.08 -1.01 0.50 -0.69 -0.00 0.00 0.00 175.17 174.04 2vr8 s VAL 97 N 3.44 5.17 -0.28 -1.27 1.01 0.29 -4.88 120.40 123.87 2vr8 s VAL 97 Ca 0.29 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 2vr8 s VAL 97 Cb -0.13 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.53 2vr8 s VAL 97 CO 0.21 0.32 0.22 -0.55 0.00 0.00 0.00 175.10 175.30 2vr8 s SER 98 N 0.60 2.49 0.01 3.32 0.15 -1.25 -2.35 113.70 116.67 2vr8 s SER 98 Ca 0.27 -0.97 0.02 0.00 0.70 0.00 0.00 55.95 55.98 2vr8 s SER 98 Cb -0.15 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 2vr8 s SER 98 CO 0.11 -0.41 -0.08 -0.63 1.20 0.00 0.00 173.24 173.44 2vr8 s ILE 99 N 2.24 0.60 -0.11 6.45 1.01 -0.13 -5.02 121.20 126.25 2vr8 s ILE 99 Ca 0.09 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.24 2vr8 s ILE 99 Cb -0.15 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.78 2vr8 s ILE 99 CO -0.34 0.02 -0.22 -0.70 0.00 0.00 0.00 174.94 173.70 2vr8 s GLU 100 N -0.57 2.88 -0.04 2.79 2.12 -1.26 -0.78 118.70 123.84 2vr8 s GLU 100 Ca -0.00 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.52 2vr8 s GLU 100 Cb -0.05 -2.23 0.02 0.00 0.26 0.00 0.00 34.13 32.14 2vr8 s GLU 100 CO 0.00 0.11 -0.03 0.34 -0.54 0.00 0.00 175.26 175.15 2vr8 s ASP 101 N 0.50 0.88 -0.06 -1.70 2.15 -0.25 -4.95 116.67 113.23 2vr8 s ASP 101 Ca -0.16 -0.09 0.19 0.00 0.43 0.00 0.00 52.55 52.92 2vr8 s ASP 101 Cb -0.17 -0.38 0.65 0.00 -0.30 0.00 0.00 42.92 42.72 2vr8 s ASP 101 CO 0.06 -0.08 1.56 -1.20 -0.17 0.00 0.00 175.17 175.33 2vr8 n SER 102 N 4.20 4.28 -0.13 -0.34 7.64 -1.26 -0.57 113.62 127.45 2vr8 n SER 102 Ca -0.23 -2.25 -0.25 0.00 1.01 0.00 0.00 58.87 57.15 2vr8 n SER 102 Cb 0.51 -0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2vr8 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2vr8 n VAL 103 N 1.23 1.38 -0.81 0.44 0.31 -1.26 -4.88 118.33 114.74 2vr8 n VAL 103 Ca 0.24 -0.39 -0.31 0.00 -0.01 0.00 0.00 64.34 63.87 2vr8 n VAL 103 Cb 0.75 -1.72 0.16 0.00 -0.91 0.00 0.00 33.84 32.12 2vr8 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2vr8 s ILE 104 N -2.47 2.32 0.16 2.52 -4.36 -1.26 -4.85 121.20 113.26 2vr8 s ILE 104 Ca -0.35 0.10 -0.11 0.00 -0.26 0.00 0.00 60.65 60.04 2vr8 s ILE 104 Cb 0.12 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.60 2vr8 s ILE 104 CO 0.47 -0.14 0.32 -0.55 0.24 0.00 0.00 174.94 175.28 2vr8 s SER 105 N -2.83 -0.01 -0.09 4.36 0.15 -1.00 -4.64 113.70 109.63 2vr8 s SER 105 Ca 0.66 -0.75 0.14 0.00 0.70 0.00 0.00 55.95 56.69 2vr8 s SER 105 Cb -0.22 0.45 0.45 0.00 -1.71 0.00 0.00 66.02 65.00 2vr8 s SER 105 CO 0.58 -0.90 1.37 0.18 1.20 0.00 0.00 173.24 175.68 2vr8 n LEU 106 N -0.22 3.58 -3.91 3.45 4.77 -1.26 -1.51 117.00 121.90 2vr8 n LEU 106 Ca -0.09 -2.49 -0.08 0.00 -0.03 0.00 0.00 56.01 53.31 2vr8 n LEU 106 Cb 0.63 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2vr8 n LEU 106 CO 0.22 0.72 0.33 -0.94 -1.33 0.00 0.00 177.39 176.39 2vr8 s SER 107 N -1.38 -0.19 0.41 -1.43 1.04 -1.26 -4.89 113.70 106.00 2vr8 s SER 107 Ca 0.35 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2vr8 s SER 107 Cb 0.24 0.66 0.00 0.00 0.10 0.00 0.00 66.02 67.02 2vr8 s SER 107 CO 0.14 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.73 2vr8 n GLY 108 N -0.42 -0.42 0.23 7.32 0.00 -1.26 -4.15 105.19 106.49 2vr8 n GLY 108 Ca -0.03 -1.09 0.03 0.00 0.00 0.00 0.00 46.02 44.93 2vr8 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vr8 h ASP 109 N 0.84 0.12 -3.65 1.61 3.32 -2.01 -3.47 116.42 113.19 2vr8 h ASP 109 Ca 0.00 -0.03 -0.62 0.00 0.02 0.00 0.00 57.03 56.40 2vr8 h ASP 109 Cb 0.00 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 39.38 2vr8 h ASP 109 CO 0.00 0.33 -0.29 -1.00 -1.72 0.00 0.00 179.24 176.56 2vr8 s HIS 110 N -4.60 3.29 0.00 4.55 3.76 -1.26 -5.02 115.29 116.02 2vr8 s HIS 110 Ca -0.05 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 2vr8 s HIS 110 Cb 0.15 -2.50 0.00 0.00 1.11 0.00 0.00 32.58 31.35 2vr8 s HIS 110 CO 0.72 -0.12 0.00 0.44 -0.85 0.00 0.00 174.74 174.93 2vr8 n ILE 112 N 4.78 0.00 -2.01 0.60 -5.35 -0.57 -2.38 119.36 114.42 2vr8 n ILE 112 Ca -0.10 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.97 2vr8 n ILE 112 Cb 0.51 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.39 2vr8 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2vr8 s ILE 113 N 0.00 2.69 0.00 7.28 1.01 -1.26 -1.91 121.20 129.00 2vr8 s ILE 113 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2vr8 s ILE 113 Cb 0.00 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2vr8 s ILE 113 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2vr8 n GLY 114 N 2.41 0.80 3.95 6.18 0.00 0.51 -5.00 105.19 114.05 2vr8 n GLY 114 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2vr8 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vr8 s ARG 115 N -0.33 2.34 -0.17 1.61 0.52 -0.80 -2.42 118.95 119.69 2vr8 s ARG 115 Ca 0.00 -1.78 -0.05 0.00 -0.52 0.00 0.00 55.73 53.38 2vr8 s ARG 115 Cb 0.00 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 2vr8 s ARG 115 CO 0.00 -0.63 -0.00 0.99 0.02 0.00 0.00 175.30 175.68 2vr8 s THR 116 N -2.67 4.21 -0.07 0.02 2.01 -1.07 -0.85 115.64 117.22 2vr8 s THR 116 Ca 0.47 -0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.03 2vr8 s THR 116 Cb -0.04 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2vr8 s THR 116 CO 0.29 0.48 0.54 -0.22 -0.69 0.00 0.00 174.62 175.02 2vr8 s LEU 117 N 0.38 4.34 -0.03 4.42 2.96 -0.33 -0.35 118.68 130.06 2vr8 s LEU 117 Ca -0.01 0.99 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 2vr8 s LEU 117 Cb -0.14 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.74 2vr8 s LEU 117 CO 0.02 0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.27 2vr8 s VAL 118 N 0.29 1.07 -0.11 1.68 1.01 0.05 -2.04 120.40 122.36 2vr8 s VAL 118 Ca 0.29 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 2vr8 s VAL 118 Cb -0.17 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2vr8 s VAL 118 CO 0.14 0.32 -0.06 0.54 0.00 0.00 0.00 175.10 176.04 2vr8 s VAL 119 N 0.16 3.74 0.33 2.92 0.11 -0.53 -1.58 120.40 125.54 2vr8 s VAL 119 Ca -0.04 -0.44 0.07 0.00 -2.93 0.00 0.00 61.98 58.64 2vr8 s VAL 119 Cb -0.10 -2.58 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 2vr8 s VAL 119 CO 0.01 0.56 0.31 -1.00 -3.33 0.00 0.00 175.10 171.65 2vr8 s HIS 120 N -0.30 2.96 0.18 1.54 3.76 0.22 -1.04 115.29 122.62 2vr8 s HIS 120 Ca 0.04 -0.27 -0.12 0.00 -0.15 0.00 0.00 55.06 54.57 2vr8 s HIS 120 Cb -0.13 -1.78 0.10 0.00 1.11 0.00 0.00 32.58 31.88 2vr8 s HIS 120 CO 0.02 0.19 1.82 1.49 -0.85 0.00 0.00 174.74 177.42 2vr8 h GLU 121 N 1.22 0.85 -5.39 1.40 4.81 -0.91 -3.38 114.58 113.19 2vr8 h GLU 121 Ca -0.45 -0.08 -0.63 0.00 -0.13 0.00 0.00 59.36 58.07 2vr8 h GLU 121 Cb 1.25 -0.18 -0.13 0.00 0.63 0.00 0.00 28.75 30.32 2vr8 h GLU 121 CO 0.58 0.61 -0.56 0.15 -0.73 0.00 0.00 179.01 179.06 2vr8 s LYS 122 N -5.97 2.01 0.45 1.92 1.02 -0.24 -4.93 119.74 114.01 2vr8 s LYS 122 Ca -0.13 -2.21 -0.24 0.00 0.02 0.00 0.00 55.97 53.41 2vr8 s LYS 122 Cb 0.13 -1.43 -0.08 0.00 -0.52 0.00 0.00 37.83 35.94 2vr8 s LYS 122 CO 0.77 -0.22 1.28 0.00 -0.92 0.00 0.00 175.35 176.26 2vr8 s ALA 123 N -2.88 3.10 -0.09 5.17 0.00 -1.11 -0.85 121.76 125.09 2vr8 s ALA 123 Ca 0.23 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 2vr8 s ALA 123 Cb 0.06 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2vr8 s ALA 123 CO 0.12 -0.91 1.06 0.34 0.00 0.00 0.00 175.76 176.37 2vr8 s ASP 124 N -0.93 7.20 0.00 0.00 -1.08 -1.26 -4.06 116.67 116.54 2vr8 s ASP 124 Ca 0.62 1.61 0.11 0.00 -0.52 0.00 0.00 52.55 54.36 2vr8 s ASP 124 Cb -0.36 -2.56 0.59 0.00 -1.46 0.00 0.00 42.92 39.13 2vr8 s ASP 124 CO 0.45 -0.48 1.38 -0.90 0.52 0.00 0.00 175.17 176.15 2vr8 n ASP 125 N 5.05 0.17 -0.45 -0.34 5.68 0.03 -4.89 116.55 121.80 2vr8 n ASP 125 Ca 0.09 -1.70 -0.06 0.00 -0.50 0.00 0.00 54.79 52.62 2vr8 n ASP 125 Cb 0.48 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.42 2vr8 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2vr8 n LEU 126 N -0.55 -0.18 -0.00 -2.12 4.77 -1.26 -1.49 117.00 116.17 2vr8 n LEU 126 Ca 0.08 0.14 -0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2vr8 n LEU 126 Cb 0.06 -1.64 -0.00 0.00 -2.33 0.00 0.00 43.42 39.51 2vr8 n LEU 126 CO 0.06 -0.55 -0.00 0.61 -1.33 0.00 0.00 177.39 176.19 2vr8 n GLY 127 N -1.31 0.49 0.85 -0.72 0.00 -1.24 -2.58 105.19 100.68 2vr8 n GLY 127 Ca -0.06 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 45.96 2vr8 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vr8 n LYS 128 N -2.94 2.01 -0.00 1.61 4.76 -0.55 -4.49 118.16 118.55 2vr8 n LYS 128 Ca -0.00 -3.02 0.14 0.00 -2.87 0.00 0.00 58.31 52.56 2vr8 n LYS 128 Cb 0.01 -1.75 0.51 0.00 -1.84 0.00 0.00 35.03 31.96 2vr8 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2vr8 n GLY 129 N -1.01 0.03 2.18 0.72 0.00 -1.26 -4.97 105.19 100.88 2vr8 n GLY 129 Ca 0.26 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 2vr8 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vr8 n GLY 130 N 1.18 0.84 3.19 -0.02 0.00 -1.26 -4.98 105.19 104.13 2vr8 n GLY 130 Ca 0.19 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2vr8 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vr8 s ASN 131 N -2.91 0.64 0.30 1.61 4.22 -1.26 -5.05 114.94 112.49 2vr8 s ASN 131 Ca 0.00 -1.22 -0.00 0.00 -2.14 0.00 0.00 52.86 49.50 2vr8 s ASN 131 Cb 0.00 0.24 0.46 0.00 1.28 0.00 0.00 41.25 43.22 2vr8 s ASN 131 CO 0.00 -0.68 1.87 -0.33 -2.04 0.00 0.00 177.10 175.91 2vr8 h GLU 132 N 2.77 0.82 -0.68 3.55 4.39 -2.00 -2.30 114.58 121.13 2vr8 h GLU 132 Ca -0.36 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.23 2vr8 h GLU 132 Cb 1.21 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.68 2vr8 h GLU 132 CO 0.60 0.70 0.45 1.49 -1.16 0.00 0.00 179.01 181.09 2vr8 h GLU 133 N 0.80 0.79 -0.82 2.33 4.57 -2.00 -2.11 114.58 118.14 2vr8 h GLU 133 Ca 0.19 -0.05 0.13 0.00 -1.18 0.00 0.00 59.36 58.45 2vr8 h GLU 133 Cb 0.21 -0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 28.53 2vr8 h GLU 133 CO -0.01 0.53 0.42 1.03 -1.18 0.00 0.00 179.01 179.79 2vr8 h SER 134 N 0.82 0.51 -0.22 1.04 0.87 -1.77 -0.09 113.55 114.70 2vr8 h SER 134 Ca 0.27 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2vr8 h SER 134 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2vr8 h SER 134 CO -0.08 0.23 0.00 0.35 -0.53 0.00 0.00 176.83 176.81 2vr8 n THR 135 N -4.87 0.40 -0.08 2.23 -2.24 -0.80 -1.40 114.28 107.52 2vr8 n THR 135 Ca 0.16 -0.33 -0.17 0.00 -2.27 0.00 0.00 64.05 61.44 2vr8 n THR 135 Cb 0.40 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 2vr8 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2vr8 n LYS 136 N 0.18 0.35 0.00 -0.78 4.76 -0.30 -0.91 118.16 121.45 2vr8 n LYS 136 Ca 0.08 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 2vr8 n LYS 136 Cb 0.25 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 2vr8 n LYS 136 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2vr8 n THR 137 N -3.70 0.00 -0.97 -0.18 -2.24 -0.20 -4.59 114.28 102.39 2vr8 n THR 137 Ca -0.32 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2vr8 n THR 137 Cb 0.73 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 2vr8 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vr8 n GLY 138 N 0.56 0.59 3.25 3.38 0.00 -0.49 -4.02 105.19 108.46 2vr8 n GLY 138 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2vr8 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vr8 n ASN 139 N -0.09 -5.66 -0.44 1.61 3.02 -1.26 -0.79 115.26 111.65 2vr8 n ASN 139 Ca 0.00 -0.39 0.11 0.00 -0.03 0.00 0.00 54.58 54.27 2vr8 n ASN 139 Cb 0.05 -4.56 0.43 0.00 -0.61 0.00 0.00 39.78 35.09 2vr8 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vr8 n ALA 140 N -3.89 2.54 -0.35 5.41 0.00 -1.26 -4.78 120.51 118.19 2vr8 n ALA 140 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2vr8 n ALA 140 Cb 0.59 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2vr8 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vr8 n GLY 141 N 1.07 -0.42 3.71 0.00 0.00 -1.26 -1.07 105.19 107.22 2vr8 n GLY 141 Ca 0.16 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 2vr8 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vr8 s SER 142 N -4.00 3.53 -0.54 1.61 1.04 -1.26 -4.60 113.70 109.48 2vr8 s SER 142 Ca 0.00 1.63 -0.21 0.00 0.48 0.00 0.00 55.95 57.85 2vr8 s SER 142 Cb 0.00 -2.29 0.06 0.00 0.10 0.00 0.00 66.02 63.88 2vr8 s SER 142 CO 0.00 -2.62 0.77 -0.13 0.98 0.00 0.00 173.24 172.23 2vr8 s ARG 143 N -4.88 3.19 0.04 4.02 0.52 -1.26 -0.87 118.95 119.70 2vr8 s ARG 143 Ca 0.63 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 55.15 2vr8 s ARG 143 Cb -0.19 -4.10 -0.26 0.00 0.52 0.00 0.00 34.95 30.92 2vr8 s ARG 143 CO 0.57 -1.38 0.98 -0.07 0.02 0.00 0.00 175.30 175.42 2vr8 h LEU 144 N 10.29 0.25 -7.13 2.53 3.38 -1.40 -3.48 115.31 119.76 2vr8 h LEU 144 Ca -0.27 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 2vr8 h LEU 144 Cb 1.09 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 2vr8 h LEU 144 CO 1.03 1.27 0.11 0.00 0.09 0.00 0.00 178.44 180.95 2vr8 s ALA 145 N -2.64 -1.40 0.20 1.53 0.00 -1.16 -4.15 121.76 114.14 2vr8 s ALA 145 Ca -0.05 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 2vr8 s ALA 145 Cb 0.08 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.95 2vr8 s ALA 145 CO 0.85 -0.67 0.90 0.00 0.00 0.00 0.00 175.76 176.83 2vr8 s GLY 147 N -2.98 -0.33 0.06 0.00 0.00 -0.86 -1.91 107.32 101.30 2vr8 s GLY 147 Ca 0.13 0.55 -0.21 0.00 0.00 0.00 0.00 44.72 45.18 2vr8 s GLY 147 CO 0.04 0.14 0.62 0.14 0.00 0.00 0.00 173.10 174.04 2vr8 s VAL 148 N -3.05 4.74 -0.17 1.40 1.01 -1.26 -1.19 120.40 121.88 2vr8 s VAL 148 Ca 0.10 1.32 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 2vr8 s VAL 148 Cb -0.00 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2vr8 s VAL 148 CO -0.02 0.50 0.87 -0.63 0.00 0.00 0.00 175.10 175.82 2vr8 s ILE 149 N -0.78 4.85 0.23 2.22 1.01 -0.03 -4.55 121.20 124.15 2vr8 s ILE 149 Ca 0.31 1.72 0.11 0.00 0.00 0.00 0.00 60.65 62.79 2vr8 s ILE 149 Cb -0.20 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 2vr8 s ILE 149 CO 0.20 0.01 -0.18 -0.83 0.00 0.00 0.00 174.94 174.13 2vr8 s GLY 150 N 1.15 1.78 0.26 6.18 0.00 -0.14 -0.36 107.32 116.19 2vr8 s GLY 150 Ca 0.40 -1.71 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 2vr8 s GLY 150 CO 0.13 -1.77 1.25 -1.50 0.00 0.00 0.00 173.10 171.20 2vr8 s ILE 151 N -2.06 3.16 0.34 0.90 2.07 -1.26 -0.72 121.20 123.63 2vr8 s ILE 151 Ca 0.26 1.07 0.10 0.00 -1.41 0.00 0.00 60.65 60.66 2vr8 s ILE 151 Cb -0.07 -3.68 -0.06 0.00 0.13 0.00 0.00 42.46 38.78 2vr8 s ILE 151 CO 0.13 0.21 -0.07 0.00 -1.91 0.00 0.00 174.94 173.30 2vr8 s ALA 152 N -0.57 3.01 -2.00 1.50 0.00 -0.16 -4.80 121.76 118.74 2vr8 s ALA 152 Ca 0.51 -2.04 0.14 0.00 0.00 0.00 0.00 51.96 50.58 2vr8 s ALA 152 Cb -0.36 -0.16 0.84 0.00 0.00 0.00 0.00 23.12 23.44 2vr8 s ALA 152 CO 0.43 0.09 1.26 0.94 0.00 0.00 0.00 175.76 178.49