#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 1.54 0.06 0.00 2.01 -0.13 -4.98 115.64 114.13 2vr8 s THR 2 Ca 0.00 -1.07 0.06 0.00 0.31 0.00 0.00 61.69 60.99 2vr8 s THR 2 Cb 0.00 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2vr8 s THR 2 CO 0.00 0.23 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.46 2vr8 s LYS 3 N -0.98 1.01 0.16 4.92 1.02 -1.26 -0.91 119.74 123.70 2vr8 s LYS 3 Ca 0.07 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.15 2vr8 s LYS 3 Cb -0.08 -1.07 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 2vr8 s LYS 3 CO 0.01 0.26 0.10 0.00 -0.92 0.00 0.00 175.35 174.80 2vr8 s ALA 4 N -0.98 0.94 0.03 5.17 0.00 -0.00 -1.31 121.76 125.61 2vr8 s ALA 4 Ca 0.02 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.27 2vr8 s ALA 4 Cb -0.09 1.09 0.03 0.00 0.00 0.00 0.00 23.12 24.16 2vr8 s ALA 4 CO 0.02 -0.54 0.39 0.54 0.00 0.00 0.00 175.76 176.17 2vr8 s VAL 5 N -4.09 0.06 -0.08 0.00 0.11 0.09 -0.70 120.40 115.78 2vr8 s VAL 5 Ca 0.30 -0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2vr8 s VAL 5 Cb 0.07 -0.89 0.04 0.00 -1.53 0.00 0.00 36.38 34.07 2vr8 s VAL 5 CO 0.06 -0.26 0.17 0.00 -3.33 0.00 0.00 175.10 171.75 2vr8 s VAL 7 N 1.39 5.17 -0.17 0.00 1.01 -1.26 -1.09 120.40 125.45 2vr8 s VAL 7 Ca -0.07 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 2vr8 s VAL 7 Cb -0.11 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2vr8 s VAL 7 CO -0.07 -0.08 0.54 -0.76 0.00 0.00 0.00 175.10 174.74 2vr8 s LEU 8 N 2.01 4.18 0.04 3.92 1.43 0.19 -3.91 118.68 126.54 2vr8 s LEU 8 Ca 0.12 0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2vr8 s LEU 8 Cb -0.17 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2vr8 s LEU 8 CO 0.12 -0.15 -0.00 -0.54 0.23 0.00 0.00 176.35 176.00 2vr8 s LYS 9 N 1.42 0.50 0.00 1.70 1.02 -0.50 -1.55 119.74 122.33 2vr8 s LYS 9 Ca 0.26 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.34 2vr8 s LYS 9 Cb -0.16 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2vr8 s LYS 9 CO 0.10 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 2vr8 n GLY 10 N 0.75 3.25 0.40 -3.33 0.00 -1.23 -0.80 105.19 104.24 2vr8 n GLY 10 Ca -0.18 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 2.86 0.00 1.61 9.92 -1.26 -4.99 116.55 124.69 2vr8 n ASP 11 Ca 0.00 -3.11 0.00 0.00 -0.53 0.00 0.00 54.79 51.15 2vr8 n ASP 11 Cb 0.00 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 2vr8 n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2vr8 n GLY 12 N -1.10 3.47 0.16 0.44 0.00 -1.26 -5.00 105.19 101.90 2vr8 n GLY 12 Ca 0.18 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 2vr8 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vr8 h PRO 13 N 0.00 0.46 -5.26 1.61 0.11 -1.93 -3.44 132.00 123.55 2vr8 h PRO 13 Ca 0.00 -0.20 -0.61 0.00 0.11 0.00 0.00 66.00 65.30 2vr8 h PRO 13 Cb 0.00 -0.02 -0.15 0.00 0.11 0.00 0.00 31.00 30.95 2vr8 h PRO 13 CO 0.00 0.73 -0.54 0.08 -0.21 0.00 0.00 178.00 178.06 2vr8 s VAL 14 N -4.63 4.99 -0.01 3.15 1.01 -1.26 -4.06 120.40 119.59 2vr8 s VAL 14 Ca -0.14 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 2vr8 s VAL 14 Cb 0.07 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.23 2vr8 s VAL 14 CO 0.76 0.45 0.48 0.00 0.00 0.00 0.00 175.10 176.79 2vr8 s GLN 15 N 0.41 0.89 0.18 2.72 -2.07 -0.92 -3.50 119.66 117.38 2vr8 s GLN 15 Ca 0.05 -0.07 -0.24 0.00 -1.82 0.00 0.00 55.36 53.28 2vr8 s GLN 15 Cb -0.12 0.41 0.06 0.00 -1.09 0.00 0.00 33.01 32.26 2vr8 s GLN 15 CO -0.00 -0.28 0.93 0.20 -1.32 0.00 0.00 175.29 174.82 2vr8 s GLY 16 N -1.47 -0.14 -0.07 2.60 0.00 -0.60 -0.80 107.32 106.84 2vr8 s GLY 16 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2vr8 s GLY 16 CO 0.04 0.25 -0.06 -0.42 0.00 0.00 0.00 173.10 172.92 2vr8 s ILE 17 N -3.18 0.76 -0.09 0.90 1.01 -0.60 -0.64 121.20 119.37 2vr8 s ILE 17 Ca 0.13 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.63 2vr8 s ILE 17 Cb -0.02 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2vr8 s ILE 17 CO 0.04 0.30 -0.21 -0.63 0.00 0.00 0.00 174.94 174.43 2vr8 s ILE 18 N 1.30 1.84 0.06 2.92 -1.09 -0.25 -1.89 121.20 124.09 2vr8 s ILE 18 Ca -0.04 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.51 2vr8 s ILE 18 Cb -0.14 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 2vr8 s ILE 18 CO -0.03 0.51 0.07 0.20 -1.23 0.00 0.00 174.94 174.47 2vr8 s ASN 19 N 0.38 5.51 0.00 3.58 0.01 0.89 -0.55 114.94 124.76 2vr8 s ASN 19 Ca -0.17 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.05 2vr8 s ASN 19 Cb -0.17 -1.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 2vr8 s ASN 19 CO 0.07 0.20 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.35 2vr8 s PHE 20 N -1.32 1.36 -0.07 2.20 0.40 0.12 -1.36 117.98 119.31 2vr8 s PHE 20 Ca 0.27 -0.28 -0.06 0.00 -0.60 0.00 0.00 56.93 56.26 2vr8 s PHE 20 Cb -0.12 -0.86 0.02 0.00 0.51 0.00 0.00 43.02 42.57 2vr8 s PHE 20 CO 0.19 -0.00 0.19 -2.00 0.70 0.00 0.00 175.22 174.30 2vr8 s GLU 21 N -0.55 0.22 -0.09 0.44 2.12 -0.32 -0.82 118.70 119.69 2vr8 s GLU 21 Ca 0.05 0.30 -0.01 0.00 0.36 0.00 0.00 54.97 55.67 2vr8 s GLU 21 Cb -0.06 0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.43 2vr8 s GLU 21 CO -0.00 -0.05 -0.04 -1.14 -0.54 0.00 0.00 175.26 173.50 2vr8 s GLN 22 N 0.26 1.06 0.19 4.30 0.74 -0.09 -0.80 119.66 125.32 2vr8 s GLN 22 Ca -0.01 -0.07 -0.05 0.00 0.05 0.00 0.00 55.36 55.28 2vr8 s GLN 22 Cb -0.03 -1.28 0.10 0.00 1.10 0.00 0.00 33.01 32.90 2vr8 s GLN 22 CO -0.01 -0.29 1.52 -0.22 -0.55 0.00 0.00 175.29 175.74 2vr8 h LYS 23 N 8.25 0.66 -3.54 1.67 1.63 -1.85 -0.31 116.57 123.08 2vr8 h LYS 23 Ca -0.25 -0.38 -0.06 0.00 -0.85 0.00 0.00 60.65 59.11 2vr8 h LYS 23 Cb 1.13 0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 32.65 2vr8 h LYS 23 CO 0.33 0.99 -0.17 -1.83 -3.45 0.00 0.00 179.45 175.32 2vr8 s GLU 24 N -4.16 1.03 0.20 1.90 -1.05 -1.26 -3.60 118.70 111.76 2vr8 s GLU 24 Ca -0.08 -0.83 -0.32 0.00 -0.15 0.00 0.00 54.97 53.59 2vr8 s GLU 24 Cb 0.11 0.43 -0.15 0.00 -0.44 0.00 0.00 34.13 34.09 2vr8 s GLU 24 CO 0.85 -0.39 1.25 0.45 0.95 0.00 0.00 175.26 178.38 2vr8 n SER 25 N -0.18 1.89 0.00 0.83 2.88 -1.26 -1.52 113.62 116.26 2vr8 n SER 25 Ca -0.15 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2vr8 n SER 25 Cb 0.63 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2vr8 n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2vr8 n ASN 26 N 2.04 -3.55 -4.97 -3.46 5.15 -1.26 -4.98 115.26 104.24 2vr8 n ASN 26 Ca 0.13 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.90 2vr8 n ASN 26 Cb 0.28 -2.51 0.03 0.00 -0.53 0.00 0.00 39.78 37.05 2vr8 n ASN 26 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2vr8 s GLY 27 N -2.00 1.78 0.57 8.20 0.00 -0.57 -5.02 107.32 110.27 2vr8 s GLY 27 Ca 0.00 -1.25 -0.21 0.00 0.00 0.00 0.00 44.72 43.26 2vr8 s GLY 27 CO 0.00 -0.98 1.31 2.56 0.00 0.00 0.00 173.10 176.00 2vr8 s PRO 28 N -4.77 3.01 -0.18 2.90 0.04 -1.26 -4.89 135.00 129.85 2vr8 s PRO 28 Ca 0.56 2.12 -0.05 0.00 0.04 0.00 0.00 61.00 63.66 2vr8 s PRO 28 Cb -0.10 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2vr8 s PRO 28 CO 0.39 -1.25 0.01 0.08 0.04 0.00 0.00 177.00 176.26 2vr8 s VAL 29 N -1.37 4.26 -0.04 -0.36 1.01 -0.03 -4.32 120.40 119.55 2vr8 s VAL 29 Ca 0.75 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 2vr8 s VAL 29 Cb -0.38 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 2vr8 s VAL 29 CO 0.43 0.46 0.60 -0.54 0.00 0.00 0.00 175.10 176.06 2vr8 s LYS 30 N 0.53 4.35 -0.10 2.72 -0.14 0.02 -1.03 119.74 126.08 2vr8 s LYS 30 Ca -0.00 0.72 0.01 0.00 -1.36 0.00 0.00 55.97 55.34 2vr8 s LYS 30 Cb -0.14 -3.38 0.02 0.00 -1.68 0.00 0.00 37.83 32.65 2vr8 s LYS 30 CO 0.02 0.26 -0.12 0.08 -0.76 0.00 0.00 175.35 174.83 2vr8 s VAL 31 N 0.20 1.25 0.10 3.17 1.01 0.18 -1.17 120.40 125.13 2vr8 s VAL 31 Ca 0.32 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 2vr8 s VAL 31 Cb -0.18 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.08 2vr8 s VAL 31 CO 0.16 0.40 0.53 -1.66 0.00 0.00 0.00 175.10 174.53 2vr8 s TRP 32 N 1.18 -0.44 -5.00 5.22 -2.14 -0.46 -0.84 118.94 116.46 2vr8 s TRP 32 Ca -0.04 0.34 0.00 0.00 2.66 0.00 0.00 56.10 59.06 2vr8 s TRP 32 Cb -0.14 0.41 0.00 0.00 -3.10 0.00 0.00 33.47 30.64 2vr8 s TRP 32 CO -0.03 -0.73 0.00 0.41 -2.66 0.00 0.00 176.95 173.94 2vr8 n GLY 33 N 0.03 -0.10 3.21 3.67 0.00 -0.95 -0.08 105.19 110.97 2vr8 n GLY 33 Ca -0.17 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.26 -0.03 1.61 0.15 -0.79 -0.74 113.70 109.63 2vr8 s SER 34 Ca 0.00 0.41 0.03 0.00 0.70 0.00 0.00 55.95 57.09 2vr8 s SER 34 Cb 0.00 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2vr8 s SER 34 CO 0.00 -0.24 -0.12 -0.63 1.20 0.00 0.00 173.24 173.45 2vr8 s ILE 35 N -0.43 1.06 0.35 6.45 1.01 -0.50 -1.56 121.20 127.59 2vr8 s ILE 35 Ca -0.05 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.17 2vr8 s ILE 35 Cb -0.04 -0.93 -0.07 0.00 0.01 0.00 0.00 42.46 41.44 2vr8 s ILE 35 CO 0.02 0.32 -0.08 -1.59 0.00 0.00 0.00 174.94 173.61 2vr8 s LYS 36 N 0.15 1.81 0.00 2.79 -2.85 0.02 -0.38 119.74 121.28 2vr8 s LYS 36 Ca -0.04 -1.94 0.00 0.00 -1.00 0.00 0.00 55.97 52.99 2vr8 s LYS 36 Cb -0.10 -1.62 0.00 0.00 -2.06 0.00 0.00 37.83 34.05 2vr8 s LYS 36 CO 0.01 0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.97 2vr8 n GLY 37 N -0.79 0.64 3.93 0.59 0.00 -0.97 -2.16 105.19 106.41 2vr8 n GLY 37 Ca -0.05 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 4.17 0.50 0.99 1.43 -0.87 -4.46 118.68 120.45 2vr8 s LEU 38 Ca 0.00 0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 53.33 2vr8 s LEU 38 Cb 0.00 -3.23 -0.07 0.00 0.03 0.00 0.00 46.19 42.92 2vr8 s LEU 38 CO 0.00 -0.11 1.12 0.42 0.23 0.00 0.00 176.35 178.01 2vr8 s THR 39 N -1.98 3.29 0.42 5.49 -4.23 -1.26 -4.08 115.64 113.29 2vr8 s THR 39 Ca 0.39 0.86 -0.25 0.00 -1.18 0.00 0.00 61.69 61.51 2vr8 s THR 39 Cb -0.11 -3.38 -0.10 0.00 1.34 0.00 0.00 72.50 70.25 2vr8 s THR 39 CO 0.30 -0.12 1.21 1.21 -0.54 0.00 0.00 174.62 176.68 2vr8 n GLU 40 N -0.93 1.78 0.00 3.99 0.00 -1.26 -4.61 120.64 119.61 2vr8 n GLU 40 Ca 0.10 0.64 0.00 0.00 0.00 0.00 0.00 57.16 57.89 2vr8 n GLU 40 Cb 0.50 -2.30 0.00 0.00 0.00 0.00 0.00 31.44 29.65 2vr8 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2vr8 n GLY 41 N 0.90 -0.71 3.80 8.31 0.00 -0.35 -4.91 105.19 112.23 2vr8 n GLY 41 Ca 0.07 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 4.48 -0.02 0.99 1.43 -1.26 -0.99 118.68 123.30 2vr8 s LEU 42 Ca 0.00 1.41 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2vr8 s LEU 42 Cb 0.00 -3.26 0.01 0.00 0.03 0.00 0.00 46.19 42.97 2vr8 s LEU 42 CO 0.00 0.17 -0.03 -1.00 0.23 0.00 0.00 176.35 175.71 2vr8 s HIS 43 N -1.28 0.49 0.68 0.29 3.76 0.01 -2.96 115.29 116.29 2vr8 s HIS 43 Ca 0.36 -0.09 -0.16 0.00 -0.15 0.00 0.00 55.06 55.02 2vr8 s HIS 43 Cb -0.19 -0.43 0.01 0.00 1.11 0.00 0.00 32.58 33.07 2vr8 s HIS 43 CO 0.22 -0.10 1.21 0.20 -0.85 0.00 0.00 174.74 175.42 2vr8 s GLY 44 N 0.54 2.49 -0.25 -2.22 0.00 0.00 -1.28 107.32 106.59 2vr8 s GLY 44 Ca -0.06 0.93 -0.02 0.00 0.00 0.00 0.00 44.72 45.57 2vr8 s GLY 44 CO -0.01 1.33 0.35 -0.12 0.00 0.00 0.00 173.10 174.65 2vr8 s PHE 45 N -1.85 -0.73 0.06 1.90 5.36 -1.26 -1.05 117.98 120.42 2vr8 s PHE 45 Ca 0.75 0.55 0.03 0.00 -0.96 0.00 0.00 56.93 57.30 2vr8 s PHE 45 Cb -0.30 -0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.23 2vr8 s PHE 45 CO 0.41 -0.77 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.30 2vr8 s HIS 46 N 2.49 0.87 -0.28 10.12 3.76 -0.46 -2.76 115.29 129.02 2vr8 s HIS 46 Ca 0.11 -0.57 -0.16 0.00 -0.15 0.00 0.00 55.06 54.29 2vr8 s HIS 46 Cb -0.15 -0.50 -0.03 0.00 1.11 0.00 0.00 32.58 33.02 2vr8 s HIS 46 CO -0.20 -0.05 0.43 0.08 -0.85 0.00 0.00 174.74 174.15 2vr8 s VAL 47 N -1.84 5.12 0.28 -0.90 1.01 -0.31 -0.66 120.40 123.11 2vr8 s VAL 47 Ca -0.03 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 2vr8 s VAL 47 Cb -0.07 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2vr8 s VAL 47 CO 0.00 0.07 0.48 -1.00 0.00 0.00 0.00 175.10 174.65 2vr8 s HIS 48 N 2.18 3.49 0.18 5.22 3.76 0.83 -0.87 115.29 130.07 2vr8 s HIS 48 Ca 0.17 0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 55.36 2vr8 s HIS 48 Cb -0.16 -1.91 0.08 0.00 1.11 0.00 0.00 32.58 31.71 2vr8 s HIS 48 CO 0.10 0.24 1.73 1.49 -0.85 0.00 0.00 174.74 177.45 2vr8 h GLU 49 N 1.43 0.94 -5.99 1.40 4.81 -0.66 -2.78 114.58 113.73 2vr8 h GLU 49 Ca -0.49 -0.18 -0.68 0.00 -0.13 0.00 0.00 59.36 57.89 2vr8 h GLU 49 Cb 1.20 -0.15 -0.19 0.00 0.63 0.00 0.00 28.75 30.24 2vr8 h GLU 49 CO 0.65 0.80 -0.68 -0.06 -0.73 0.00 0.00 179.01 178.98 2vr8 s PHE 50 N -5.52 2.97 -0.29 0.92 0.08 -0.40 -4.68 117.98 111.06 2vr8 s PHE 50 Ca -0.13 -0.02 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 2vr8 s PHE 50 Cb 0.13 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.78 2vr8 s PHE 50 CO 0.80 0.28 3.04 0.41 -0.10 0.00 0.00 175.22 179.65 2vr8 n GLY 51 N 2.42 3.85 3.12 4.36 0.00 -1.03 -3.51 105.19 114.41 2vr8 n GLY 51 Ca -0.18 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 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 0.93 4.93 -0.25 1.61 -1.08 -1.26 -4.95 116.67 116.61 2vr8 s ASP 52 Ca 0.60 -1.63 0.12 0.00 -0.52 0.00 0.00 52.55 51.12 2vr8 s ASP 52 Cb 0.35 -1.72 0.52 0.00 -1.46 0.00 0.00 42.92 40.62 2vr8 s ASP 52 CO -0.14 -0.35 1.47 0.59 0.52 0.00 0.00 175.17 177.26 2vr8 n ASN 53 N 4.54 3.13 0.17 -0.34 3.02 -1.26 -2.96 115.26 121.55 2vr8 n ASN 53 Ca -0.08 -3.44 0.02 0.00 -0.03 0.00 0.00 54.58 51.05 2vr8 n ASN 53 Cb 0.42 -0.61 0.36 0.00 -0.61 0.00 0.00 39.78 39.35 2vr8 n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2vr8 h THR 54 N 1.32 1.25 -1.05 3.41 1.35 -1.92 -2.23 112.91 115.02 2vr8 h THR 54 Ca 0.15 -1.18 -0.61 0.00 -0.55 0.00 0.00 66.41 64.22 2vr8 h THR 54 Cb 1.63 1.59 -0.38 0.00 -1.73 0.00 0.00 68.15 69.26 2vr8 h THR 54 CO 0.35 0.34 -0.18 0.00 -0.25 0.00 0.00 175.52 175.79 2vr8 n ALA 55 N -2.48 5.52 -0.72 6.62 0.00 -1.26 -5.07 120.51 123.12 2vr8 n ALA 55 Ca -0.02 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.60 2vr8 n ALA 55 Cb 0.38 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.71 0.65 0.15 0.00 0.00 -0.84 -2.92 105.19 101.50 2vr8 n GLY 56 Ca 0.49 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 1.13 -0.05 0.00 2.02 -1.87 -2.64 112.91 111.50 2vr8 h THR 58 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2vr8 h THR 58 Cb 0.44 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2vr8 h THR 58 CO 0.00 0.16 0.00 -1.54 0.37 0.00 0.00 175.52 174.51 2vr8 n SER 59 N -4.37 0.40 0.00 4.18 3.41 -1.15 -3.77 113.62 112.31 2vr8 n SER 59 Ca -0.00 -1.60 0.10 0.00 -0.26 0.00 0.00 58.87 57.11 2vr8 n SER 59 Cb 0.19 -0.03 0.44 0.00 -0.26 0.00 0.00 64.21 64.55 2vr8 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vr8 n ALA 60 N -0.47 1.94 -0.16 7.33 0.00 -1.00 -4.48 120.51 123.66 2vr8 n ALA 60 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2vr8 n ALA 60 Cb 0.11 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.53 -1.50 3.94 0.00 0.00 -1.25 -1.28 105.19 105.64 2vr8 n GLY 61 Ca 0.06 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 2vr8 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vr8 s PRO 62 N 0.00 0.58 0.45 1.61 0.04 -1.26 -4.63 135.00 131.79 2vr8 s PRO 62 Ca 0.00 -0.57 -0.25 0.00 0.04 0.00 0.00 61.00 60.22 2vr8 s PRO 62 Cb 0.00 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2vr8 s PRO 62 CO 0.00 -2.42 1.43 -1.01 0.04 0.00 0.00 177.00 175.04 2vr8 s HIS 63 N -3.85 2.45 0.03 0.56 3.76 -1.26 -0.44 115.29 116.54 2vr8 s HIS 63 Ca 0.75 1.25 -0.30 0.00 -0.15 0.00 0.00 55.06 56.61 2vr8 s HIS 63 Cb -0.03 -3.94 -0.08 0.00 1.11 0.00 0.00 32.58 29.64 2vr8 s HIS 63 CO 0.53 -2.97 1.86 0.12 -0.85 0.00 0.00 174.74 173.42 2vr8 s PHE 64 N -1.20 1.63 -0.46 1.40 5.36 -0.05 -4.51 117.98 120.15 2vr8 s PHE 64 Ca 0.61 -0.20 0.07 0.00 -0.96 0.00 0.00 56.93 56.44 2vr8 s PHE 64 Cb -0.44 -4.14 0.29 0.00 -0.34 0.00 0.00 43.02 38.38 2vr8 s PHE 64 CO 0.57 -4.97 0.97 -1.71 -1.46 0.00 0.00 175.22 168.62 2vr8 n ASN 65 N 7.08 -2.22 0.30 6.13 5.15 -1.26 -1.71 115.26 128.72 2vr8 n ASN 65 Ca 0.19 -3.45 0.18 0.00 -0.60 0.00 0.00 54.58 50.90 2vr8 n ASN 65 Cb 0.41 1.59 0.91 0.00 -0.53 0.00 0.00 39.78 42.16 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 3.44 0.00 -0.56 1.20 0.13 -1.95 -2.30 132.00 131.97 2vr8 h PRO 66 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2vr8 h PRO 66 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2vr8 h PRO 66 CO 0.25 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.33 2vr8 n LEU 67 N -3.24 4.33 -3.69 1.56 4.77 -1.26 -4.98 117.00 114.49 2vr8 n LEU 67 Ca -0.01 -2.42 -0.23 0.00 -0.03 0.00 0.00 56.01 53.32 2vr8 n LEU 67 Cb 0.20 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 2vr8 n LEU 67 CO 0.25 0.80 0.03 -1.20 -1.33 0.00 0.00 177.39 175.93 2vr8 n SER 68 N 0.86 -2.48 -4.93 -1.43 7.64 -0.87 -4.99 113.62 107.42 2vr8 n SER 68 Ca 0.23 -0.75 -0.24 0.00 1.01 0.00 0.00 58.87 59.12 2vr8 n SER 68 Cb 0.80 -4.30 0.06 0.00 -1.01 0.00 0.00 64.21 59.77 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 -6.03 2.27 0.60 1.43 0.52 -1.26 -5.09 118.95 111.40 2vr8 s ARG 69 Ca 0.18 -0.46 -0.15 0.00 -0.52 0.00 0.00 55.73 54.78 2vr8 s ARG 69 Cb -0.09 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 2vr8 s ARG 69 CO 0.79 -1.09 1.04 0.15 0.02 0.00 0.00 175.30 176.22 2vr8 s LYS 70 N -5.09 3.38 0.29 3.54 1.02 -1.26 -4.75 119.74 116.87 2vr8 s LYS 70 Ca 0.60 1.10 -0.29 0.00 0.02 0.00 0.00 55.97 57.40 2vr8 s LYS 70 Cb -0.10 -2.05 -0.10 0.00 -0.52 0.00 0.00 37.83 35.06 2vr8 s LYS 70 CO 0.43 -0.75 1.30 -1.58 -0.92 0.00 0.00 175.35 173.83 2vr8 s HIS 71 N -2.60 3.15 0.01 3.18 5.65 -0.12 -2.84 115.29 121.72 2vr8 s HIS 71 Ca 0.62 1.36 -0.00 0.00 0.25 0.00 0.00 55.06 57.28 2vr8 s HIS 71 Cb -0.14 -3.64 0.00 0.00 -1.18 0.00 0.00 32.58 27.62 2vr8 s HIS 71 CO 0.39 -1.81 0.01 0.41 -0.65 0.00 0.00 174.74 173.10 2vr8 n GLY 72 N 1.35 3.06 3.91 1.59 0.00 -1.25 -4.41 105.19 109.43 2vr8 n GLY 72 Ca 0.02 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.06 1.54 0.49 -0.02 0.00 -1.10 -4.57 107.32 102.59 2vr8 s GLY 73 Ca 0.01 -0.57 0.14 0.00 0.00 0.00 0.00 44.72 44.30 2vr8 s GLY 73 CO 0.01 -0.37 2.11 -0.56 0.00 0.00 0.00 173.10 174.28 2vr8 h PRO 74 N 0.10 0.11 -0.00 2.90 0.13 -1.86 -1.58 132.00 131.80 2vr8 h PRO 74 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2vr8 h PRO 74 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2vr8 h PRO 74 CO 0.61 0.10 -0.15 1.63 -0.23 0.00 0.00 178.00 179.96 2vr8 n LYS 75 N -4.49 0.60 -2.68 0.86 5.02 -1.26 -4.91 118.16 111.31 2vr8 n LYS 75 Ca -0.02 -0.23 -0.38 0.00 -2.02 0.00 0.00 58.31 55.66 2vr8 n LYS 75 Cb 0.11 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.56 7.25 0.20 4.39 1.01 -0.60 -4.96 116.67 121.40 2vr8 s ASP 76 Ca 0.26 1.97 -0.06 0.00 0.71 0.00 0.00 52.55 55.42 2vr8 s ASP 76 Cb 0.20 -2.59 0.14 0.00 1.01 0.00 0.00 42.92 41.68 2vr8 s ASP 76 CO 0.50 -0.14 1.62 -0.33 0.21 0.00 0.00 175.17 177.03 2vr8 h GLU 77 N 3.28 0.86 -5.01 8.23 4.39 -1.91 -3.36 114.58 121.06 2vr8 h GLU 77 Ca -0.47 -0.34 -0.67 0.00 0.34 0.00 0.00 59.36 58.22 2vr8 h GLU 77 Cb 1.20 -0.04 -0.18 0.00 -0.10 0.00 0.00 28.75 29.63 2vr8 h GLU 77 CO 0.65 0.97 0.36 -2.00 -1.16 0.00 0.00 179.01 177.84 2vr8 s GLU 78 N -4.68 3.14 0.16 2.33 2.12 -1.26 -4.97 118.70 115.54 2vr8 s GLU 78 Ca -0.10 -1.20 -0.13 0.00 0.36 0.00 0.00 54.97 53.90 2vr8 s GLU 78 Cb 0.13 -4.32 0.01 0.00 0.26 0.00 0.00 34.13 30.21 2vr8 s GLU 78 CO 0.84 -1.67 0.38 -0.98 -0.54 0.00 0.00 175.26 173.29 2vr8 s ARG 79 N 3.18 1.19 0.58 4.30 1.70 -1.23 -3.94 118.95 124.73 2vr8 s ARG 79 Ca 0.18 -0.96 -0.17 0.00 -0.47 0.00 0.00 55.73 54.31 2vr8 s ARG 79 Cb -0.19 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 2vr8 s ARG 79 CO 0.06 -0.46 1.07 -1.01 -1.08 0.00 0.00 175.30 173.88 2vr8 s HIS 80 N -3.90 2.87 0.32 5.89 3.76 -1.13 -4.75 115.29 118.36 2vr8 s HIS 80 Ca 0.11 1.53 0.03 0.00 -0.15 0.00 0.00 55.06 56.58 2vr8 s HIS 80 Cb 0.02 -3.09 0.63 0.00 1.11 0.00 0.00 32.58 31.25 2vr8 s HIS 80 CO -0.04 -1.24 1.90 0.28 -0.85 0.00 0.00 174.74 174.78 2vr8 h VAL 81 N 0.66 0.99 -0.02 -0.90 2.07 -1.78 -2.48 116.25 114.78 2vr8 h VAL 81 Ca -0.48 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2vr8 h VAL 81 Cb 1.23 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2vr8 h VAL 81 CO 0.57 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.94 2vr8 n GLY 82 N -1.40 -0.88 3.53 2.17 0.00 -0.69 -4.29 105.19 103.62 2vr8 n GLY 82 Ca 0.15 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.32 6.70 0.55 1.61 1.01 -0.94 -1.16 116.67 123.13 2vr8 s ASP 83 Ca 0.16 -2.06 -0.06 0.00 0.71 0.00 0.00 52.55 51.31 2vr8 s ASP 83 Cb 0.08 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 2vr8 s ASP 83 CO 0.13 -1.21 0.86 -0.76 0.21 0.00 0.00 175.17 174.39 2vr8 s LEU 84 N 3.79 3.37 0.37 1.23 1.43 -1.11 -4.02 118.68 123.75 2vr8 s LEU 84 Ca 0.45 0.79 -0.27 0.00 -1.03 0.00 0.00 54.13 54.07 2vr8 s LEU 84 Cb -0.00 -3.66 -0.11 0.00 0.03 0.00 0.00 46.19 42.44 2vr8 s LEU 84 CO -0.04 -0.90 1.20 -1.14 0.23 0.00 0.00 176.35 175.71 2vr8 n ARG 85 N -2.47 1.84 -1.63 1.70 0.63 -1.26 -4.60 116.66 110.87 2vr8 n ARG 85 Ca 0.03 0.65 -0.39 0.00 -0.92 0.00 0.00 57.85 57.22 2vr8 n ARG 85 Cb 0.57 -2.24 0.04 0.00 0.45 0.00 0.00 32.46 31.28 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 0.59 1.17 -4.92 6.15 3.02 -1.26 -4.51 115.26 115.50 2vr8 n ASN 86 Ca 0.07 0.89 -0.28 0.00 -0.03 0.00 0.00 54.58 55.22 2vr8 n ASN 86 Cb 0.37 -1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.10 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 5.20 -0.20 2.41 -7.23 -0.41 -4.88 120.40 113.88 2vr8 s VAL 87 Ca 0.72 -0.30 -0.00 0.00 -1.81 0.00 0.00 61.98 60.59 2vr8 s VAL 87 Cb -0.45 -3.71 0.02 0.00 0.56 0.00 0.00 36.38 32.79 2vr8 s VAL 87 CO 0.50 -0.13 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.11 2vr8 s THR 88 N -1.83 2.39 -0.03 5.32 2.01 -1.26 -0.81 115.64 121.43 2vr8 s THR 88 Ca 0.39 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 61.35 2vr8 s THR 88 Cb -0.11 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2vr8 s THR 88 CO 0.28 0.46 0.41 0.00 -0.69 0.00 0.00 174.62 175.09 2vr8 s ALA 89 N 1.32 3.66 1.02 7.40 0.00 -0.16 -4.16 121.76 130.83 2vr8 s ALA 89 Ca 0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2vr8 s ALA 89 Cb -0.14 -2.43 0.15 0.00 0.00 0.00 0.00 23.12 20.71 2vr8 s ALA 89 CO -0.10 0.37 0.82 -0.40 0.00 0.00 0.00 175.76 176.45 2vr8 n ASP 90 N 2.26 -0.18 0.24 0.00 5.68 0.31 -1.21 116.55 123.65 2vr8 n ASP 90 Ca -0.13 -1.25 0.17 0.00 -0.50 0.00 0.00 54.79 53.08 2vr8 n ASP 90 Cb 0.52 -0.64 0.76 0.00 -1.14 0.00 0.00 41.12 40.62 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 -0.27 0.11 2.10 -1.98 -1.14 116.57 115.40 2vr8 h LYS 91 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 2vr8 h LYS 91 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2vr8 h LYS 91 CO 0.19 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.39 2vr8 n ASP 92 N -2.78 2.32 0.00 7.07 8.00 -1.26 -4.86 116.55 125.05 2vr8 n ASP 92 Ca -0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.66 2vr8 n ASP 92 Cb 0.19 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.26 0.58 3.58 0.44 0.00 -0.43 -4.75 105.19 105.86 2vr8 n GLY 93 Ca 0.17 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 4.62 -0.30 1.61 1.01 -1.26 -2.04 120.40 122.04 2vr8 s VAL 94 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 2vr8 s VAL 94 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2vr8 s VAL 94 CO 0.00 0.43 0.11 0.00 0.00 0.00 0.00 175.10 175.64 2vr8 s ALA 95 N 0.71 3.15 -0.39 5.51 0.00 0.49 -0.53 121.76 130.69 2vr8 s ALA 95 Ca 0.03 -1.42 -0.22 0.00 0.00 0.00 0.00 51.96 50.35 2vr8 s ALA 95 Cb -0.13 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.75 2vr8 s ALA 95 CO 0.02 -0.91 0.73 0.34 0.00 0.00 0.00 175.76 175.93 2vr8 s ASP 96 N 1.55 6.46 -0.14 0.00 2.15 -1.26 -1.40 116.67 124.02 2vr8 s ASP 96 Ca 0.03 0.10 -0.14 0.00 0.43 0.00 0.00 52.55 52.97 2vr8 s ASP 96 Cb -0.17 -2.37 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2vr8 s ASP 96 CO 0.04 -0.75 0.33 -0.69 -0.17 0.00 0.00 175.17 173.93 2vr8 s VAL 97 N 3.01 5.28 -0.27 1.11 1.01 0.08 -4.85 120.40 125.78 2vr8 s VAL 97 Ca 0.28 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 2vr8 s VAL 97 Cb -0.13 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.70 2vr8 s VAL 97 CO 0.18 0.40 0.20 -0.44 0.00 0.00 0.00 175.10 175.44 2vr8 s SER 98 N 0.35 2.42 0.00 3.32 0.01 -1.25 -2.23 113.70 116.32 2vr8 s SER 98 Ca 0.18 -0.88 0.03 0.00 1.31 0.00 0.00 55.95 56.59 2vr8 s SER 98 Cb -0.13 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 2vr8 s SER 98 CO 0.05 -0.40 -0.08 -0.63 0.41 0.00 0.00 173.24 172.59 2vr8 s ILE 99 N 2.24 0.65 -0.14 1.44 1.01 -0.02 -5.02 121.20 121.37 2vr8 s ILE 99 Ca 0.08 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2vr8 s ILE 99 Cb -0.15 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.76 2vr8 s ILE 99 CO -0.30 0.10 -0.22 -0.70 0.00 0.00 0.00 174.94 173.83 2vr8 s GLU 100 N -0.42 2.97 -0.06 2.79 2.12 -1.26 -0.65 118.70 124.19 2vr8 s GLU 100 Ca 0.02 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.53 2vr8 s GLU 100 Cb -0.04 -2.39 0.01 0.00 0.26 0.00 0.00 34.13 31.98 2vr8 s GLU 100 CO -0.00 -0.00 -0.10 0.34 -0.54 0.00 0.00 175.26 174.95 2vr8 s ASP 101 N 0.79 1.52 0.00 -1.70 2.15 -0.20 -4.96 116.67 114.28 2vr8 s ASP 101 Ca -0.08 -0.25 0.25 0.00 0.43 0.00 0.00 52.55 52.90 2vr8 s ASP 101 Cb -0.16 -0.70 0.60 0.00 -0.30 0.00 0.00 42.92 42.36 2vr8 s ASP 101 CO -0.01 0.01 1.49 -1.54 -0.17 0.00 0.00 175.17 174.95 2vr8 n SER 102 N 3.84 2.36 -0.11 -0.34 3.41 -1.26 -0.85 113.62 120.68 2vr8 n SER 102 Ca -0.23 -1.79 -0.21 0.00 -0.26 0.00 0.00 58.87 56.38 2vr8 n SER 102 Cb 0.52 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.33 2vr8 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2vr8 n VAL 103 N 0.82 1.18 -0.86 -3.33 0.31 -1.26 -4.80 118.33 110.39 2vr8 n VAL 103 Ca 0.17 -0.33 -0.32 0.00 -0.01 0.00 0.00 64.34 63.84 2vr8 n VAL 103 Cb 0.48 -1.65 0.15 0.00 -0.91 0.00 0.00 33.84 31.90 2vr8 n VAL 103 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2vr8 n ILE 104 N -3.76 0.85 -3.93 2.52 -5.35 -1.26 -4.85 119.36 103.59 2vr8 n ILE 104 Ca -0.41 -0.10 -0.09 0.00 -0.27 0.00 0.00 62.75 61.88 2vr8 n ILE 104 Cb 0.82 -1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 37.59 2vr8 n ILE 104 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2vr8 s SER 105 N -2.38 0.08 -0.14 7.28 0.15 -0.91 -4.60 113.70 113.17 2vr8 s SER 105 Ca 0.69 -0.80 0.15 0.00 0.70 0.00 0.00 55.95 56.69 2vr8 s SER 105 Cb -0.26 0.40 0.53 0.00 -1.71 0.00 0.00 66.02 64.98 2vr8 s SER 105 CO 0.55 -0.83 1.44 0.18 1.20 0.00 0.00 173.24 175.79 2vr8 n LEU 106 N -0.15 3.95 -3.68 3.45 4.77 -1.26 -1.48 117.00 122.59 2vr8 n LEU 106 Ca -0.10 -2.72 -0.10 0.00 -0.03 0.00 0.00 56.01 53.06 2vr8 n LEU 106 Cb 0.63 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2vr8 n LEU 106 CO 0.24 0.70 0.34 -0.94 -1.33 0.00 0.00 177.39 176.39 2vr8 s SER 107 N -1.51 -0.33 0.11 -1.43 1.04 -1.26 -4.88 113.70 105.44 2vr8 s SER 107 Ca 0.40 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2vr8 s SER 107 Cb 0.30 0.61 0.00 0.00 0.10 0.00 0.00 66.02 67.03 2vr8 s SER 107 CO 0.13 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.87 2vr8 n GLY 108 N -0.37 -1.21 0.22 7.32 0.00 -1.26 -4.08 105.19 105.80 2vr8 n GLY 108 Ca -0.11 -1.25 0.05 0.00 0.00 0.00 0.00 46.02 44.71 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 0.13 0.00 -3.83 1.61 3.32 -2.01 -3.47 116.42 112.17 2vr8 h ASP 109 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 2vr8 h ASP 109 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 2vr8 h ASP 109 CO 0.00 0.23 -0.45 -1.00 -1.72 0.00 0.00 179.24 176.30 2vr8 s HIS 110 N -4.47 3.23 0.00 4.55 3.76 -1.26 -5.01 115.29 116.10 2vr8 s HIS 110 Ca -0.03 0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 2vr8 s HIS 110 Cb 0.15 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.43 2vr8 s HIS 110 CO 0.70 -0.16 0.00 0.44 -0.85 0.00 0.00 174.74 174.87 2vr8 n ILE 112 N 5.00 0.00 -2.01 0.60 -5.35 -0.55 -2.14 119.36 114.92 2vr8 n ILE 112 Ca -0.13 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.94 2vr8 n ILE 112 Cb 0.52 0.00 -0.03 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 2.74 0.00 7.28 1.01 -1.26 -1.74 121.20 129.23 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 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2vr8 s ILE 113 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2vr8 n GLY 114 N 2.95 0.79 3.96 6.18 0.00 0.56 -5.00 105.19 114.64 2vr8 n GLY 114 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.39 2.25 -0.15 1.61 0.52 -0.71 -2.45 118.95 119.63 2vr8 s ARG 115 Ca 0.00 -1.89 -0.04 0.00 -0.52 0.00 0.00 55.73 53.28 2vr8 s ARG 115 Cb 0.00 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 2vr8 s ARG 115 CO 0.00 -0.76 -0.04 0.99 0.02 0.00 0.00 175.30 175.51 2vr8 s THR 116 N -2.75 3.85 -0.01 0.02 2.01 -1.05 -0.90 115.64 116.82 2vr8 s THR 116 Ca 0.45 -0.37 -0.20 0.00 0.31 0.00 0.00 61.69 61.88 2vr8 s THR 116 Cb -0.04 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 2vr8 s THR 116 CO 0.28 0.49 0.57 -0.22 -0.69 0.00 0.00 174.62 175.05 2vr8 s LEU 117 N 0.37 4.42 -0.03 4.42 2.96 -0.36 -0.12 118.68 130.33 2vr8 s LEU 117 Ca -0.04 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 2vr8 s LEU 117 Cb -0.14 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 43.68 2vr8 s LEU 117 CO 0.03 0.13 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.40 2vr8 s VAL 118 N -0.27 0.87 -0.07 1.68 1.01 0.17 -1.83 120.40 121.96 2vr8 s VAL 118 Ca 0.30 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2vr8 s VAL 118 Cb -0.18 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2vr8 s VAL 118 CO 0.16 0.27 -0.08 0.54 0.00 0.00 0.00 175.10 175.99 2vr8 s VAL 119 N 0.32 3.58 0.34 2.92 0.11 -0.45 -1.36 120.40 125.86 2vr8 s VAL 119 Ca -0.06 -0.52 0.08 0.00 -2.93 0.00 0.00 61.98 58.55 2vr8 s VAL 119 Cb -0.10 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 2vr8 s VAL 119 CO 0.01 0.59 0.16 -1.00 -3.33 0.00 0.00 175.10 171.54 2vr8 s HIS 120 N -0.75 2.75 0.20 1.54 3.76 -0.21 -0.99 115.29 121.59 2vr8 s HIS 120 Ca 0.11 -0.36 -0.10 0.00 -0.15 0.00 0.00 55.06 54.57 2vr8 s HIS 120 Cb -0.11 -1.64 0.14 0.00 1.11 0.00 0.00 32.58 32.07 2vr8 s HIS 120 CO 0.01 0.33 1.81 1.49 -0.85 0.00 0.00 174.74 177.53 2vr8 h GLU 121 N 1.51 1.03 -5.39 1.40 4.81 -0.94 -3.37 114.58 113.63 2vr8 h GLU 121 Ca -0.44 -0.13 -0.51 0.00 -0.13 0.00 0.00 59.36 58.15 2vr8 h GLU 121 Cb 1.25 -0.19 -0.14 0.00 0.63 0.00 0.00 28.75 30.30 2vr8 h GLU 121 CO 0.62 0.78 -0.63 0.15 -0.73 0.00 0.00 179.01 179.21 2vr8 s LYS 122 N -5.78 1.68 0.46 1.92 1.02 -0.32 -4.91 119.74 113.80 2vr8 s LYS 122 Ca -0.13 -1.91 -0.24 0.00 0.02 0.00 0.00 55.97 53.70 2vr8 s LYS 122 Cb 0.15 -1.10 -0.08 0.00 -0.52 0.00 0.00 37.83 36.28 2vr8 s LYS 122 CO 0.80 -0.09 1.34 0.00 -0.92 0.00 0.00 175.35 176.48 2vr8 s ALA 123 N -3.10 3.12 0.04 5.17 0.00 -1.15 -0.82 121.76 125.02 2vr8 s ALA 123 Ca 0.34 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 2vr8 s ALA 123 Cb 0.08 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2vr8 s ALA 123 CO 0.15 -1.06 1.22 0.34 0.00 0.00 0.00 175.76 176.41 2vr8 s ASP 124 N -0.77 7.05 0.00 0.00 -1.08 -1.26 -4.12 116.67 116.48 2vr8 s ASP 124 Ca 0.62 2.01 0.11 0.00 -0.52 0.00 0.00 52.55 54.77 2vr8 s ASP 124 Cb -0.40 -2.57 0.50 0.00 -1.46 0.00 0.00 42.92 38.99 2vr8 s ASP 124 CO 0.50 -0.51 1.35 -0.90 0.52 0.00 0.00 175.17 176.13 2vr8 n ASP 125 N 4.20 0.70 -0.94 -0.34 5.68 0.26 -4.90 116.55 121.22 2vr8 n ASP 125 Ca 0.10 -1.79 -0.12 0.00 -0.50 0.00 0.00 54.79 52.47 2vr8 n ASP 125 Cb 0.46 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.21 -0.84 -0.24 -2.12 4.77 -1.26 -1.50 117.00 115.60 2vr8 n LEU 126 Ca 0.09 0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 56.35 2vr8 n LEU 126 Cb 0.14 -2.01 -0.01 0.00 -2.33 0.00 0.00 43.42 39.21 2vr8 n LEU 126 CO 0.07 -0.70 -0.03 0.61 -1.33 0.00 0.00 177.39 176.01 2vr8 n GLY 127 N -1.25 0.60 1.31 -0.72 0.00 -1.25 -2.69 105.19 101.19 2vr8 n GLY 127 Ca -0.12 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.22 2.27 0.00 1.61 4.76 -0.57 -4.61 118.16 119.40 2vr8 n LYS 128 Ca -0.03 -3.48 0.11 0.00 -2.87 0.00 0.00 58.31 52.03 2vr8 n LYS 128 Cb 0.19 -1.91 0.01 0.00 -1.84 0.00 0.00 35.03 31.47 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 0.12 2.72 0.72 0.00 -1.26 -5.01 105.19 101.48 2vr8 n GLY 129 Ca 0.34 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 1.36 2.59 4.01 -0.02 0.00 -1.26 -4.95 105.19 106.91 2vr8 n GLY 130 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.75 5.62 0.31 1.61 2.20 -1.26 -5.03 114.94 114.65 2vr8 s ASN 131 Ca 0.00 -0.43 0.09 0.00 -0.94 0.00 0.00 52.86 51.58 2vr8 s ASN 131 Cb 0.00 -0.62 0.52 0.00 -2.00 0.00 0.00 41.25 39.14 2vr8 s ASN 131 CO 0.00 -0.80 1.72 -0.08 -2.94 0.00 0.00 177.10 175.01 2vr8 h GLU 132 N 0.60 0.13 -0.67 3.55 4.57 -2.01 -2.32 114.58 118.43 2vr8 h GLU 132 Ca -0.40 -0.06 0.12 0.00 -1.18 0.00 0.00 59.36 57.85 2vr8 h GLU 132 Cb 1.28 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 2vr8 h GLU 132 CO 0.45 0.54 0.45 1.49 -1.18 0.00 0.00 179.01 180.77 2vr8 h GLU 133 N 0.11 0.38 -0.80 1.92 4.57 -1.99 -2.20 114.58 116.57 2vr8 h GLU 133 Ca 0.01 -0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.29 2vr8 h GLU 133 Cb 0.81 -0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 29.23 2vr8 h GLU 133 CO 0.06 0.25 0.40 1.03 -1.18 0.00 0.00 179.01 179.58 2vr8 h SER 134 N 0.40 0.49 -0.25 1.04 0.87 -1.78 -0.35 113.55 113.98 2vr8 h SER 134 Ca 0.32 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2vr8 h SER 134 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2vr8 h SER 134 CO -0.09 0.24 0.00 0.35 -0.53 0.00 0.00 176.83 176.79 2vr8 n THR 135 N -4.87 0.33 -0.08 2.23 -2.24 -0.83 -1.33 114.28 107.48 2vr8 n THR 135 Ca 0.15 -0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 2vr8 n THR 135 Cb 0.37 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.24 0.36 0.00 -0.78 4.76 -0.35 -0.94 118.16 121.45 2vr8 n LYS 136 Ca 0.09 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2vr8 n LYS 136 Cb 0.22 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 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 -3.60 0.00 -0.97 -0.18 -2.24 -0.29 -4.61 114.28 102.39 2vr8 n THR 137 Ca -0.32 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2vr8 n THR 137 Cb 0.74 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 0.66 0.63 3.73 3.38 0.00 -0.44 -4.11 105.19 109.04 2vr8 n GLY 138 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.07 -5.39 -0.40 1.61 3.02 -1.26 -0.57 115.26 112.20 2vr8 n ASN 139 Ca 0.00 -0.65 0.08 0.00 -0.03 0.00 0.00 54.58 53.98 2vr8 n ASN 139 Cb 0.04 -4.28 0.32 0.00 -0.61 0.00 0.00 39.78 35.24 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 -4.66 2.52 -0.43 5.41 0.00 -1.26 -4.78 120.51 117.31 2vr8 n ALA 140 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2vr8 n ALA 140 Cb 0.54 -1.10 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 0.97 -0.27 3.75 0.00 0.00 -1.26 -1.17 105.19 107.20 2vr8 n GLY 141 Ca 0.13 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 4.18 -0.52 1.61 1.04 -1.26 -4.60 113.70 110.15 2vr8 s SER 142 Ca 0.00 1.84 -0.21 0.00 0.48 0.00 0.00 55.95 58.06 2vr8 s SER 142 Cb 0.00 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.68 2vr8 s SER 142 CO 0.00 -2.25 0.74 -0.13 0.98 0.00 0.00 173.24 172.58 2vr8 s ARG 143 N -4.87 3.20 0.04 4.02 0.52 -1.26 -0.90 118.95 119.69 2vr8 s ARG 143 Ca 0.62 -0.65 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 2vr8 s ARG 143 Cb -0.18 -4.08 -0.25 0.00 0.52 0.00 0.00 34.95 30.96 2vr8 s ARG 143 CO 0.56 -1.31 0.98 -0.07 0.02 0.00 0.00 175.30 175.48 2vr8 h LEU 144 N 10.17 0.21 -7.09 2.53 3.38 -1.38 -3.48 115.31 119.66 2vr8 h LEU 144 Ca -0.27 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 2vr8 h LEU 144 Cb 1.09 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.62 2vr8 h LEU 144 CO 1.01 1.23 0.14 0.00 0.09 0.00 0.00 178.44 180.91 2vr8 s ALA 145 N -2.64 -1.51 0.25 1.53 0.00 -1.17 -4.07 121.76 114.15 2vr8 s ALA 145 Ca -0.05 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 52.35 2vr8 s ALA 145 Cb 0.08 0.54 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2vr8 s ALA 145 CO 0.84 -0.60 0.72 0.00 0.00 0.00 0.00 175.76 176.72 2vr8 s GLY 147 N -2.89 -0.31 0.00 0.00 0.00 -0.76 -1.40 107.32 101.96 2vr8 s GLY 147 Ca 0.09 0.38 -0.22 0.00 0.00 0.00 0.00 44.72 44.97 2vr8 s GLY 147 CO 0.03 0.10 0.66 0.14 0.00 0.00 0.00 173.10 174.03 2vr8 s VAL 148 N -3.31 4.87 -0.21 1.40 1.01 -1.26 -1.23 120.40 121.67 2vr8 s VAL 148 Ca 0.09 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.16 2vr8 s VAL 148 Cb -0.02 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.37 2vr8 s VAL 148 CO -0.02 0.38 1.07 -0.63 0.00 0.00 0.00 175.10 175.91 2vr8 s ILE 149 N -0.04 4.63 0.21 2.22 1.01 -0.08 -4.52 121.20 124.63 2vr8 s ILE 149 Ca 0.34 1.96 0.10 0.00 0.00 0.00 0.00 60.65 63.05 2vr8 s ILE 149 Cb -0.19 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 2vr8 s ILE 149 CO 0.19 -0.16 -0.15 -0.83 0.00 0.00 0.00 174.94 173.99 2vr8 s GLY 150 N 1.31 1.74 0.25 6.18 0.00 0.04 -0.32 107.32 116.51 2vr8 s GLY 150 Ca 0.46 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.28 2vr8 s GLY 150 CO 0.08 -1.64 1.17 -1.50 0.00 0.00 0.00 173.10 171.21 2vr8 s ILE 151 N -1.86 3.40 0.35 0.90 2.07 -1.26 -0.73 121.20 124.06 2vr8 s ILE 151 Ca 0.25 1.31 0.09 0.00 -1.41 0.00 0.00 60.65 60.90 2vr8 s ILE 151 Cb -0.08 -3.84 -0.06 0.00 0.13 0.00 0.00 42.46 38.61 2vr8 s ILE 151 CO 0.14 0.27 -0.06 0.00 -1.91 0.00 0.00 174.94 173.39 2vr8 s ALA 152 N -0.73 3.05 -2.00 1.50 0.00 -0.43 -4.79 121.76 118.36 2vr8 s ALA 152 Ca 0.48 -2.06 0.22 0.00 0.00 0.00 0.00 51.96 50.61 2vr8 s ALA 152 Cb -0.33 -0.15 1.33 0.00 0.00 0.00 0.00 23.12 23.97 2vr8 s ALA 152 CO 0.41 0.07 1.71 0.94 0.00 0.00 0.00 175.76 178.89