#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vr6 s THR 2 N 0.00 2.72 0.03 0.00 2.01 0.02 -4.97 115.64 115.44 2vr6 s THR 2 Ca 0.00 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.46 2vr6 s THR 2 Cb 0.00 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 2vr6 s THR 2 CO 0.00 0.11 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.46 2vr6 s LYS 3 N -2.09 0.37 0.15 4.92 1.02 -1.26 -1.15 119.74 121.70 2vr6 s LYS 3 Ca 0.17 -0.69 -0.04 0.00 0.02 0.00 0.00 55.97 55.42 2vr6 s LYS 3 Cb -0.10 0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 37.25 2vr6 s LYS 3 CO 0.09 -0.04 0.16 0.00 -0.92 0.00 0.00 175.35 174.64 2vr6 s ALA 4 N -1.71 0.53 0.07 5.17 0.00 -0.42 -1.89 121.76 123.51 2vr6 s ALA 4 Ca -0.13 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 2vr6 s ALA 4 Cb -0.08 0.93 0.01 0.00 0.00 0.00 0.00 23.12 23.98 2vr6 s ALA 4 CO -0.02 -0.57 0.25 0.54 0.00 0.00 0.00 175.76 175.96 2vr6 s VAL 5 N -4.03 0.11 -0.13 0.00 0.11 -0.07 -1.05 120.40 115.34 2vr6 s VAL 5 Ca 0.23 -0.92 -0.07 0.00 -2.93 0.00 0.00 61.98 58.30 2vr6 s VAL 5 Cb 0.06 -1.13 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 2vr6 s VAL 5 CO 0.02 -0.51 0.31 0.00 -3.33 0.00 0.00 175.10 171.60 2vr6 s VAL 7 N 1.47 4.75 -0.19 0.00 1.01 -1.26 -1.09 120.40 125.08 2vr6 s VAL 7 Ca -0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 2vr6 s VAL 7 Cb -0.10 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 2vr6 s VAL 7 CO -0.10 0.28 0.21 -0.76 0.00 0.00 0.00 175.10 174.73 2vr6 s LEU 8 N 1.68 4.20 0.07 3.92 1.02 0.17 -3.98 118.68 125.75 2vr6 s LEU 8 Ca 0.07 0.32 -0.08 0.00 0.02 0.00 0.00 54.13 54.45 2vr6 s LEU 8 Cb -0.16 -2.22 -0.00 0.00 0.02 0.00 0.00 46.19 43.84 2vr6 s LEU 8 CO 0.07 0.12 0.18 -0.54 0.02 0.00 0.00 176.35 176.19 2vr6 s LYS 9 N 0.58 0.77 0.00 1.70 1.02 -0.51 -1.63 119.74 121.67 2vr6 s LYS 9 Ca 0.11 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.25 2vr6 s LYS 9 Cb -0.12 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 2vr6 s LYS 9 CO 0.02 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 2vr6 n GLY 10 N 0.22 3.74 0.02 -3.33 0.00 -1.25 -1.22 105.19 103.36 2vr6 n GLY 10 Ca -0.16 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.15 2vr6 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vr6 n ASP 11 N 0.00 0.41 0.00 1.61 8.00 -1.26 -4.88 116.55 120.44 2vr6 n ASP 11 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2vr6 n ASP 11 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 2vr6 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vr6 n GLY 12 N 1.46 4.98 0.24 0.44 0.00 -1.26 -5.04 105.19 106.01 2vr6 n GLY 12 Ca 0.06 -1.99 0.15 0.00 0.00 0.00 0.00 46.02 44.23 2vr6 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vr6 n PRO 13 N 0.00 1.25 -2.24 1.61 -0.04 -1.26 -4.89 135.00 129.42 2vr6 n PRO 13 Ca 0.00 -0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 62.55 2vr6 n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 2vr6 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2vr6 s VAL 14 N -2.08 3.65 -0.04 0.52 1.01 -1.26 -4.57 120.40 117.63 2vr6 s VAL 14 Ca 0.40 1.12 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 2vr6 s VAL 14 Cb 0.21 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2vr6 s VAL 14 CO 0.37 0.04 0.15 -1.10 0.00 0.00 0.00 175.10 174.56 2vr6 s GLN 15 N 1.78 0.30 0.25 2.72 -0.21 -0.98 -3.83 119.66 119.68 2vr6 s GLN 15 Ca 0.63 -0.01 -0.21 0.00 0.02 0.00 0.00 55.36 55.78 2vr6 s GLN 15 Cb -0.33 0.13 0.04 0.00 1.00 0.00 0.00 33.01 33.85 2vr6 s GLN 15 CO 0.28 -0.06 0.81 0.20 -2.12 0.00 0.00 175.29 174.40 2vr6 s GLY 16 N -0.47 -0.06 -0.07 3.09 0.00 -0.65 -1.11 107.32 108.06 2vr6 s GLY 16 Ca -0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 44.72 44.41 2vr6 s GLY 16 CO 0.01 0.02 -0.04 -0.42 0.00 0.00 0.00 173.10 172.67 2vr6 s ILE 17 N -3.47 0.61 -0.09 0.90 1.01 -0.72 -0.66 121.20 118.79 2vr6 s ILE 17 Ca 0.12 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2vr6 s ILE 17 Cb -0.04 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.75 2vr6 s ILE 17 CO 0.06 0.28 -0.19 -0.63 0.00 0.00 0.00 174.94 174.46 2vr6 s ILE 18 N 1.49 1.69 0.03 2.92 -1.09 -0.25 -2.10 121.20 123.89 2vr6 s ILE 18 Ca -0.02 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 2vr6 s ILE 18 Cb -0.13 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.22 2vr6 s ILE 18 CO -0.04 0.48 0.09 0.20 -1.23 0.00 0.00 174.94 174.44 2vr6 s ASN 19 N 0.58 5.64 -0.02 3.58 0.01 0.52 -0.78 114.94 124.48 2vr6 s ASN 19 Ca -0.15 0.08 0.04 0.00 -0.71 0.00 0.00 52.86 52.13 2vr6 s ASN 19 Cb -0.17 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.90 2vr6 s ASN 19 CO 0.05 0.22 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.36 2vr6 s PHE 20 N -1.29 1.28 -0.03 2.20 0.40 -0.22 -1.11 117.98 119.21 2vr6 s PHE 20 Ca 0.26 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.31 2vr6 s PHE 20 Cb -0.12 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.59 2vr6 s PHE 20 CO 0.18 -0.04 0.06 -2.00 0.70 0.00 0.00 175.22 174.12 2vr6 s GLU 21 N -0.24 0.05 -0.21 0.44 2.12 -0.34 -1.30 118.70 119.22 2vr6 s GLU 21 Ca 0.04 0.14 -0.02 0.00 0.36 0.00 0.00 54.97 55.48 2vr6 s GLU 21 Cb -0.06 -0.04 0.06 0.00 0.26 0.00 0.00 34.13 34.35 2vr6 s GLU 21 CO -0.00 -0.05 0.03 -1.14 -0.54 0.00 0.00 175.26 173.55 2vr6 s GLN 22 N 0.35 0.83 0.24 4.30 0.74 -0.30 -0.85 119.66 124.97 2vr6 s GLN 22 Ca -0.03 -0.58 -0.00 0.00 0.05 0.00 0.00 55.36 54.80 2vr6 s GLN 22 Cb -0.04 -2.19 0.29 0.00 1.10 0.00 0.00 33.01 32.17 2vr6 s GLN 22 CO -0.01 -0.66 1.65 0.87 -0.55 0.00 0.00 175.29 176.58 2vr6 h LYS 23 N 8.18 0.55 -5.07 1.67 1.79 -1.84 0.08 116.57 121.94 2vr6 h LYS 23 Ca -0.16 -0.24 -0.37 0.00 -2.18 0.00 0.00 60.65 57.69 2vr6 h LYS 23 Cb 1.10 -0.01 -0.22 0.00 -1.58 0.00 0.00 32.23 31.52 2vr6 h LYS 23 CO 0.36 0.81 -0.77 -1.21 -1.08 0.00 0.00 179.45 177.56 2vr6 s GLU 24 N -4.38 0.73 0.22 3.15 2.02 -1.26 -3.29 118.70 115.89 2vr6 s GLU 24 Ca -0.07 -0.84 -0.32 0.00 0.02 0.00 0.00 54.97 53.76 2vr6 s GLU 24 Cb 0.13 -0.67 -0.14 0.00 0.10 0.00 0.00 34.13 33.56 2vr6 s GLU 24 CO 0.81 0.15 1.41 0.45 0.02 0.00 0.00 175.26 178.10 2vr6 n SER 25 N 1.49 2.65 -0.46 -0.19 2.88 -1.26 -0.91 113.62 117.82 2vr6 n SER 25 Ca -0.21 1.13 -0.06 0.00 -1.33 0.00 0.00 58.87 58.40 2vr6 n SER 25 Cb 0.54 -1.40 -0.03 0.00 -0.75 0.00 0.00 64.21 62.58 2vr6 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2vr6 n ASN 26 N 2.33 -5.53 -4.75 -3.46 5.03 -1.26 -4.99 115.26 102.64 2vr6 n ASN 26 Ca 0.13 0.15 -0.23 0.00 0.87 0.00 0.00 54.58 55.49 2vr6 n ASN 26 Cb 0.30 -3.55 0.09 0.00 -1.02 0.00 0.00 39.78 35.60 2vr6 n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2vr6 s GLY 27 N -2.26 1.77 0.62 7.41 0.00 -0.09 -5.04 107.32 109.74 2vr6 s GLY 27 Ca 0.00 -1.66 -0.18 0.00 0.00 0.00 0.00 44.72 42.88 2vr6 s GLY 27 CO 0.00 -1.15 1.27 -4.14 0.00 0.00 0.00 173.10 169.08 2vr6 s PRO 28 N -5.06 2.72 -0.18 2.90 0.02 -1.26 -4.87 135.00 129.26 2vr6 s PRO 28 Ca 0.64 2.00 -0.02 0.00 0.02 0.00 0.00 61.00 63.64 2vr6 s PRO 28 Cb -0.06 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 2vr6 s PRO 28 CO 0.43 -1.45 -0.08 0.08 -0.33 0.00 0.00 177.00 175.65 2vr6 s VAL 29 N -1.45 3.23 0.06 3.83 1.01 0.13 -4.22 120.40 122.98 2vr6 s VAL 29 Ca 0.80 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 2vr6 s VAL 29 Cb -0.35 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 2vr6 s VAL 29 CO 0.38 0.47 0.82 -0.54 0.00 0.00 0.00 175.10 176.23 2vr6 s LYS 30 N 0.97 4.55 -0.14 2.72 1.02 -0.03 -0.94 119.74 127.89 2vr6 s LYS 30 Ca -0.01 1.16 -0.00 0.00 0.02 0.00 0.00 55.97 57.14 2vr6 s LYS 30 Cb -0.15 -3.37 0.03 0.00 -0.52 0.00 0.00 37.83 33.82 2vr6 s LYS 30 CO -0.00 0.26 -0.10 0.08 -0.92 0.00 0.00 175.35 174.67 2vr6 s VAL 31 N -0.02 1.25 -0.05 3.17 1.01 0.04 -1.20 120.40 124.60 2vr6 s VAL 31 Ca 0.41 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2vr6 s VAL 31 Cb -0.21 -1.25 0.04 0.00 0.00 0.00 0.00 36.38 34.95 2vr6 s VAL 31 CO 0.25 0.37 0.42 -1.66 0.00 0.00 0.00 175.10 174.47 2vr6 s TRP 32 N 1.61 -0.35 -1.59 5.22 -2.14 -0.27 -0.63 118.94 120.78 2vr6 s TRP 32 Ca 0.04 0.65 0.00 0.00 2.66 0.00 0.00 56.10 59.45 2vr6 s TRP 32 Cb -0.13 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.42 2vr6 s TRP 32 CO -0.09 -0.41 0.00 0.41 -2.66 0.00 0.00 176.95 174.20 2vr6 n GLY 33 N 1.51 -0.56 3.35 3.67 0.00 -0.48 -0.36 105.19 112.33 2vr6 n GLY 33 Ca -0.19 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 2vr6 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vr6 s SER 34 N -4.00 -0.42 -0.03 1.61 0.15 -0.89 -0.88 113.70 109.24 2vr6 s SER 34 Ca 0.00 0.61 0.03 0.00 0.70 0.00 0.00 55.95 57.29 2vr6 s SER 34 Cb 0.00 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2vr6 s SER 34 CO 0.00 -0.34 -0.10 -0.63 1.20 0.00 0.00 173.24 173.37 2vr6 s ILE 35 N -0.55 0.90 0.35 6.45 1.01 -0.77 -1.75 121.20 126.84 2vr6 s ILE 35 Ca -0.07 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2vr6 s ILE 35 Cb -0.03 -0.80 -0.07 0.00 0.01 0.00 0.00 42.46 41.57 2vr6 s ILE 35 CO 0.04 0.28 -0.02 -1.59 0.00 0.00 0.00 174.94 173.65 2vr6 s LYS 36 N 0.26 1.78 0.00 2.79 -2.85 -0.26 -0.68 119.74 120.77 2vr6 s LYS 36 Ca -0.05 -1.96 0.00 0.00 -1.00 0.00 0.00 55.97 52.96 2vr6 s LYS 36 Cb -0.10 -1.39 0.00 0.00 -2.06 0.00 0.00 37.83 34.27 2vr6 s LYS 36 CO 0.01 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.85 2vr6 n GLY 37 N -0.79 0.73 3.88 0.59 0.00 -0.94 -2.33 105.19 106.33 2vr6 n GLY 37 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2vr6 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vr6 s LEU 38 N 0.00 3.85 0.53 0.99 1.43 -0.72 -4.54 118.68 120.22 2vr6 s LEU 38 Ca 0.00 1.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.93 2vr6 s LEU 38 Cb 0.00 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.25 2vr6 s LEU 38 CO 0.00 -0.38 1.12 0.42 0.23 0.00 0.00 176.35 177.74 2vr6 s THR 39 N -2.36 3.24 0.27 5.49 -4.23 -1.26 -4.06 115.64 112.73 2vr6 s THR 39 Ca 0.49 0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 61.49 2vr6 s THR 39 Cb -0.10 -3.33 -0.13 0.00 1.34 0.00 0.00 72.50 70.28 2vr6 s THR 39 CO 0.33 -0.15 1.37 -1.84 -0.54 0.00 0.00 174.62 173.78 2vr6 n GLU 40 N -1.16 2.04 0.00 3.99 0.28 -1.26 -4.58 120.64 119.95 2vr6 n GLU 40 Ca 0.11 0.72 0.00 0.00 -0.16 0.00 0.00 57.16 57.83 2vr6 n GLU 40 Cb 0.51 -2.35 0.00 0.00 1.43 0.00 0.00 31.44 31.03 2vr6 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2vr6 n GLY 41 N 1.78 -0.14 3.72 -1.84 0.00 -0.42 -4.92 105.19 103.38 2vr6 n GLY 41 Ca 0.10 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 2vr6 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vr6 s LEU 42 N 0.00 4.46 -0.06 0.99 1.02 -1.26 -0.97 118.68 122.86 2vr6 s LEU 42 Ca 0.00 1.83 0.01 0.00 0.02 0.00 0.00 54.13 55.99 2vr6 s LEU 42 Cb 0.00 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.64 2vr6 s LEU 42 CO 0.00 -0.16 -0.06 -1.00 0.02 0.00 0.00 176.35 175.14 2vr6 s HIS 43 N 0.27 0.99 0.54 0.29 3.76 0.22 -2.87 115.29 118.50 2vr6 s HIS 43 Ca 0.49 -0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 54.84 2vr6 s HIS 43 Cb -0.24 -0.84 -0.05 0.00 1.11 0.00 0.00 32.58 32.55 2vr6 s HIS 43 CO 0.30 -0.26 1.32 0.41 -0.85 0.00 0.00 174.74 175.66 2vr6 n GLY 44 N 4.21 0.68 2.64 -2.22 0.00 -0.07 -0.85 105.19 109.58 2vr6 n GLY 44 Ca -0.21 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 2vr6 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2vr6 s PHE 45 N -1.30 0.11 0.03 1.61 5.36 -0.47 -0.81 117.98 122.51 2vr6 s PHE 45 Ca 0.71 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.59 2vr6 s PHE 45 Cb -0.42 -0.60 -0.02 0.00 -0.34 0.00 0.00 43.02 41.63 2vr6 s PHE 45 CO 0.50 -0.43 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.76 2vr6 s HIS 46 N 2.17 0.48 -0.32 10.12 3.76 -0.59 -1.67 115.29 129.25 2vr6 s HIS 46 Ca 0.03 -0.51 -0.17 0.00 -0.15 0.00 0.00 55.06 54.26 2vr6 s HIS 46 Cb -0.15 -0.31 -0.02 0.00 1.11 0.00 0.00 32.58 33.22 2vr6 s HIS 46 CO -0.08 -0.13 0.44 0.08 -0.85 0.00 0.00 174.74 174.20 2vr6 s VAL 47 N -1.41 5.10 0.30 -0.90 1.01 0.37 -0.58 120.40 124.28 2vr6 s VAL 47 Ca -0.13 0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 2vr6 s VAL 47 Cb -0.10 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2vr6 s VAL 47 CO -0.00 -0.05 0.57 -1.00 0.00 0.00 0.00 175.10 174.62 2vr6 s HIS 48 N 2.22 3.48 0.18 5.22 3.76 0.95 -0.85 115.29 130.25 2vr6 s HIS 48 Ca 0.16 0.68 -0.13 0.00 -0.15 0.00 0.00 55.06 55.62 2vr6 s HIS 48 Cb -0.16 -2.13 0.09 0.00 1.11 0.00 0.00 32.58 31.49 2vr6 s HIS 48 CO 0.12 0.15 1.83 1.49 -0.85 0.00 0.00 174.74 177.47 2vr6 h GLU 49 N 1.64 0.82 -5.64 1.40 4.81 -0.73 -2.68 114.58 114.20 2vr6 h GLU 49 Ca -0.48 -0.06 -0.65 0.00 -0.13 0.00 0.00 59.36 58.03 2vr6 h GLU 49 Cb 1.19 -0.18 -0.16 0.00 0.63 0.00 0.00 28.75 30.23 2vr6 h GLU 49 CO 0.66 0.57 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.84 2vr6 s PHE 50 N -6.04 3.17 -0.68 0.92 0.08 -0.12 -4.66 117.98 110.65 2vr6 s PHE 50 Ca -0.13 0.07 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 2vr6 s PHE 50 Cb 0.13 -1.90 -0.06 0.00 -0.57 0.00 0.00 43.02 40.62 2vr6 s PHE 50 CO 0.76 0.29 3.02 0.41 -0.10 0.00 0.00 175.22 179.60 2vr6 n GLY 51 N 2.78 4.05 3.05 4.36 0.00 -1.04 -3.69 105.19 114.71 2vr6 n GLY 51 Ca -0.18 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 2vr6 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vr6 s ASP 52 N 1.22 4.52 -0.20 1.61 -1.08 -1.26 -4.95 116.67 116.54 2vr6 s ASP 52 Ca 0.63 -1.59 0.15 0.00 -0.52 0.00 0.00 52.55 51.22 2vr6 s ASP 52 Cb 0.29 -1.56 0.67 0.00 -1.46 0.00 0.00 42.92 40.85 2vr6 s ASP 52 CO -0.10 -0.24 1.58 -3.20 0.52 0.00 0.00 175.17 173.73 2vr6 n ASN 53 N 4.39 4.76 0.17 -0.34 4.05 -1.26 -3.13 115.26 123.89 2vr6 n ASN 53 Ca -0.09 -2.91 0.05 0.00 0.45 0.00 0.00 54.58 52.07 2vr6 n ASN 53 Cb 0.42 -0.60 0.48 0.00 1.23 0.00 0.00 39.78 41.30 2vr6 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2vr6 h THR 54 N 2.96 1.12 -1.10 -0.44 1.35 -1.92 -1.61 112.91 113.27 2vr6 h THR 54 Ca 0.00 -0.54 -0.59 0.00 -0.55 0.00 0.00 66.41 64.73 2vr6 h THR 54 Cb 1.67 1.15 -0.40 0.00 -1.73 0.00 0.00 68.15 68.84 2vr6 h THR 54 CO 0.34 0.17 -0.51 0.00 -0.25 0.00 0.00 175.52 175.27 2vr6 n ALA 55 N -2.50 5.26 -0.99 6.62 0.00 -1.26 -5.05 120.51 122.58 2vr6 n ALA 55 Ca -0.01 -3.95 0.00 0.00 0.00 0.00 0.00 53.44 49.47 2vr6 n ALA 55 Cb 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2vr6 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vr6 n GLY 56 N -0.65 2.24 0.10 0.00 0.00 -0.61 -2.76 105.19 103.51 2vr6 n GLY 56 Ca 0.45 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2vr6 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vr6 h THR 58 N 0.00 1.20 -0.03 0.00 1.35 -1.86 -2.74 112.91 110.84 2vr6 h THR 58 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2vr6 h THR 58 Cb 0.55 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2vr6 h THR 58 CO 0.00 0.29 0.00 -1.54 -0.25 0.00 0.00 175.52 174.02 2vr6 n SER 59 N -4.24 0.21 0.00 5.36 3.41 -1.19 -3.73 113.62 113.44 2vr6 n SER 59 Ca 0.00 -1.68 0.12 0.00 -0.26 0.00 0.00 58.87 57.04 2vr6 n SER 59 Cb 0.29 -0.02 0.57 0.00 -0.26 0.00 0.00 64.21 64.80 2vr6 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vr6 n ALA 60 N -0.54 2.18 -0.18 7.33 0.00 -1.04 -4.48 120.51 123.79 2vr6 n ALA 60 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2vr6 n ALA 60 Cb 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2vr6 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vr6 n GLY 61 N 0.79 -1.51 1.75 0.00 0.00 -1.24 -0.94 105.19 104.04 2vr6 n GLY 61 Ca 0.10 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 2vr6 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vr6 n PRO 62 N -0.20 -0.37 -2.03 1.61 -0.04 -1.26 -4.61 135.00 128.10 2vr6 n PRO 62 Ca 0.00 -1.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.05 2vr6 n PRO 62 Cb 0.00 -0.54 -0.01 0.00 -0.04 0.00 0.00 33.50 32.91 2vr6 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2vr6 s HIS 63 N -2.06 2.89 -0.00 0.54 3.76 -1.26 -0.67 115.29 118.48 2vr6 s HIS 63 Ca 0.33 1.36 -0.30 0.00 -0.15 0.00 0.00 55.06 56.30 2vr6 s HIS 63 Cb -0.01 -3.75 -0.07 0.00 1.11 0.00 0.00 32.58 29.86 2vr6 s HIS 63 CO 0.23 -2.16 1.65 0.12 -0.85 0.00 0.00 174.74 173.73 2vr6 s PHE 64 N -1.17 2.17 -0.41 1.40 5.36 -0.03 -4.53 117.98 120.76 2vr6 s PHE 64 Ca 0.52 0.25 0.09 0.00 -0.96 0.00 0.00 56.93 56.83 2vr6 s PHE 64 Cb -0.41 -3.93 0.31 0.00 -0.34 0.00 0.00 43.02 38.66 2vr6 s PHE 64 CO 0.54 -3.83 0.82 -1.71 -1.46 0.00 0.00 175.22 169.58 2vr6 n ASN 65 N 6.47 -0.60 0.27 6.13 5.15 -1.26 -1.22 115.26 130.20 2vr6 n ASN 65 Ca 0.17 -3.19 0.16 0.00 -0.60 0.00 0.00 54.58 51.12 2vr6 n ASN 65 Cb 0.42 0.37 0.74 0.00 -0.53 0.00 0.00 39.78 40.78 2vr6 n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2vr6 h PRO 66 N 3.28 0.00 -0.06 1.20 0.13 -1.90 -2.22 132.00 132.44 2vr6 h PRO 66 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2vr6 h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2vr6 h PRO 66 CO 0.37 0.07 0.00 1.28 -0.23 0.00 0.00 178.00 179.49 2vr6 n LEU 67 N -3.28 1.71 -3.71 1.56 4.32 -1.26 -4.96 117.00 111.38 2vr6 n LEU 67 Ca -0.01 -0.61 -0.24 0.00 -0.02 0.00 0.00 56.01 55.14 2vr6 n LEU 67 Cb 0.28 -0.03 0.03 0.00 -1.62 0.00 0.00 43.42 42.07 2vr6 n LEU 67 CO 0.28 0.30 -0.09 -1.20 -1.22 0.00 0.00 177.39 175.46 2vr6 n SER 68 N 0.34 -2.17 -4.89 -1.43 7.64 -0.83 -5.00 113.62 107.27 2vr6 n SER 68 Ca 0.18 -0.89 -0.23 0.00 1.01 0.00 0.00 58.87 58.94 2vr6 n SER 68 Cb 0.38 -3.81 -0.02 0.00 -1.01 0.00 0.00 64.21 59.75 2vr6 n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2vr6 s ARG 69 N -5.98 2.39 0.71 1.43 0.52 -1.26 -5.13 118.95 111.62 2vr6 s ARG 69 Ca 0.12 -1.74 -0.11 0.00 -0.52 0.00 0.00 55.73 53.48 2vr6 s ARG 69 Cb -0.04 -2.28 0.01 0.00 0.52 0.00 0.00 34.95 33.17 2vr6 s ARG 69 CO 0.83 -0.40 1.07 -1.59 0.02 0.00 0.00 175.30 175.23 2vr6 s LYS 70 N -4.22 2.85 0.37 3.54 -2.85 -1.26 -4.70 119.74 113.46 2vr6 s LYS 70 Ca 0.44 0.69 -0.26 0.00 -1.00 0.00 0.00 55.97 55.84 2vr6 s LYS 70 Cb -0.03 -2.00 -0.09 0.00 -2.06 0.00 0.00 37.83 33.65 2vr6 s LYS 70 CO 0.26 -1.09 1.13 -1.58 0.10 0.00 0.00 175.35 174.17 2vr6 s HIS 71 N -3.19 3.24 0.00 1.78 5.65 -0.28 -2.66 115.29 119.82 2vr6 s HIS 71 Ca 0.58 1.60 0.00 0.00 0.25 0.00 0.00 55.06 57.49 2vr6 s HIS 71 Cb -0.13 -3.32 0.00 0.00 -1.18 0.00 0.00 32.58 27.96 2vr6 s HIS 71 CO 0.54 -1.00 0.00 0.41 -0.65 0.00 0.00 174.74 174.04 2vr6 n GLY 72 N 0.70 3.52 0.79 1.59 0.00 -1.25 -4.51 105.19 106.02 2vr6 n GLY 72 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2vr6 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vr6 n GLY 73 N 0.00 -1.98 0.17 -0.02 0.00 -1.26 -4.64 105.19 97.47 2vr6 n GLY 73 Ca 0.00 0.61 0.03 0.00 0.00 0.00 0.00 46.02 46.66 2vr6 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vr6 h PRO 74 N 0.00 0.00 -5.01 1.61 0.13 -1.89 -3.44 132.00 123.41 2vr6 h PRO 74 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 2vr6 h PRO 74 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 2vr6 h PRO 74 CO 0.00 0.44 -0.61 0.15 -0.23 0.00 0.00 178.00 177.76 2vr6 s LYS 75 N -3.71 3.74 0.40 0.86 1.02 -1.26 -4.99 119.74 115.79 2vr6 s LYS 75 Ca -0.01 -0.44 0.10 0.00 0.02 0.00 0.00 55.97 55.64 2vr6 s LYS 75 Cb 0.12 -3.33 0.89 0.00 -0.52 0.00 0.00 37.83 34.99 2vr6 s LYS 75 CO 0.71 -0.10 1.96 -0.44 -0.92 0.00 0.00 175.35 176.56 2vr6 h ASP 76 N 7.96 0.52 0.28 2.83 5.19 -1.99 -0.79 116.42 130.42 2vr6 h ASP 76 Ca -0.37 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 2vr6 h ASP 76 Cb 1.18 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.59 2vr6 h ASP 76 CO 0.59 0.32 -0.31 -0.62 -3.12 0.00 0.00 179.24 176.10 2vr6 n GLU 77 N -4.48 0.69 -3.16 3.56 -0.58 -1.26 -4.44 120.64 110.96 2vr6 n GLU 77 Ca 0.11 -0.41 -0.25 0.00 -0.42 0.00 0.00 57.16 56.19 2vr6 n GLU 77 Cb 0.32 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 2vr6 n GLU 77 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2vr6 n GLU 78 N -0.80 2.31 -3.70 3.49 1.02 -0.30 -5.01 120.64 117.66 2vr6 n GLU 78 Ca 0.11 -4.34 -0.03 0.00 -0.02 0.00 0.00 57.16 52.88 2vr6 n GLU 78 Cb 0.35 -2.02 -0.01 0.00 -0.02 0.00 0.00 31.44 29.74 2vr6 n GLU 78 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2vr6 s ARG 79 N -2.71 0.94 0.38 3.49 1.70 -1.21 -3.97 118.95 117.56 2vr6 s ARG 79 Ca 0.43 -0.50 -0.24 0.00 -0.47 0.00 0.00 55.73 54.95 2vr6 s ARG 79 Cb 0.24 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 2vr6 s ARG 79 CO -0.09 -0.43 0.97 -1.01 -1.08 0.00 0.00 175.30 173.67 2vr6 s HIS 80 N -3.03 3.46 0.30 5.89 3.76 -1.09 -4.63 115.29 119.95 2vr6 s HIS 80 Ca 0.12 1.69 0.06 0.00 -0.15 0.00 0.00 55.06 56.79 2vr6 s HIS 80 Cb 0.00 -2.96 0.79 0.00 1.11 0.00 0.00 32.58 31.53 2vr6 s HIS 80 CO -0.00 -0.12 1.72 0.28 -0.85 0.00 0.00 174.74 175.77 2vr6 h VAL 81 N 2.27 0.54 0.00 -0.90 2.07 -1.88 -1.53 116.25 116.82 2vr6 h VAL 81 Ca -0.48 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2vr6 h VAL 81 Cb 1.19 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2vr6 h VAL 81 CO 0.63 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.93 2vr6 n GLY 82 N -1.32 -0.75 3.54 2.17 0.00 -0.36 -4.38 105.19 104.09 2vr6 n GLY 82 Ca 0.24 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2vr6 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vr6 s ASP 83 N -1.83 6.35 -0.31 1.61 1.01 -0.58 -0.48 116.67 122.44 2vr6 s ASP 83 Ca 0.28 -0.23 0.09 0.00 0.71 0.00 0.00 52.55 53.40 2vr6 s ASP 83 Cb 0.13 -2.50 0.54 0.00 1.01 0.00 0.00 42.92 42.10 2vr6 s ASP 83 CO 0.22 -1.43 1.54 0.18 0.21 0.00 0.00 175.17 175.88 2vr6 n LEU 84 N 8.14 4.54 0.00 1.23 4.77 -0.67 -4.84 117.00 130.16 2vr6 n LEU 84 Ca 0.04 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 52.34 2vr6 n LEU 84 Cb 0.48 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2vr6 n LEU 84 CO 0.68 1.18 0.00 0.54 -1.33 0.00 0.00 177.39 178.46 2vr6 n ARG 85 N -1.06 0.00 -4.24 3.23 1.74 -1.21 -4.63 116.66 110.50 2vr6 n ARG 85 Ca 0.36 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.25 2vr6 n ARG 85 Cb 1.13 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 32.44 2vr6 n ARG 85 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2vr6 s ASN 86 N -4.00 1.76 0.26 0.55 0.01 -1.26 -1.37 114.94 110.88 2vr6 s ASN 86 Ca 0.00 -0.58 0.03 0.00 -0.71 0.00 0.00 52.86 51.60 2vr6 s ASN 86 Cb 0.00 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.55 2vr6 s ASN 86 CO 0.00 -0.03 0.42 0.68 -1.51 0.00 0.00 177.10 176.66 2vr6 s VAL 87 N -1.14 5.21 -0.18 1.60 -7.23 -0.03 -4.88 120.40 113.75 2vr6 s VAL 87 Ca -0.00 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 2vr6 s VAL 87 Cb -0.09 -3.83 0.03 0.00 0.56 0.00 0.00 36.38 33.05 2vr6 s VAL 87 CO 0.02 -0.36 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.44 2vr6 s THR 88 N -2.06 1.63 0.39 5.32 2.01 -1.26 -0.61 115.64 121.06 2vr6 s THR 88 Ca 0.37 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 2vr6 s THR 88 Cb -0.10 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 2vr6 s THR 88 CO 0.31 0.28 0.71 0.00 -0.69 0.00 0.00 174.62 175.24 2vr6 s ALA 89 N 1.42 3.43 0.44 7.40 0.00 -0.14 -4.17 121.76 130.14 2vr6 s ALA 89 Ca 0.01 -0.35 0.08 0.00 0.00 0.00 0.00 51.96 51.70 2vr6 s ALA 89 Cb -0.15 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.42 2vr6 s ALA 89 CO -0.09 0.00 0.59 0.16 0.00 0.00 0.00 175.76 176.42 2vr6 s ASP 90 N -3.32 5.58 0.36 0.00 1.47 0.27 -1.30 116.67 119.74 2vr6 s ASP 90 Ca 0.49 -0.47 0.07 0.00 1.18 0.00 0.00 52.55 53.81 2vr6 s ASP 90 Cb -0.10 -0.56 0.76 0.00 -0.34 0.00 0.00 42.92 42.68 2vr6 s ASP 90 CO 0.33 -0.82 1.94 0.07 0.68 0.00 0.00 175.17 177.38 2vr6 h LYS 91 N 0.61 0.71 -0.02 2.11 2.10 -1.96 34.18 116.57 154.30 2vr6 h LYS 91 Ca -0.39 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2vr6 h LYS 91 Cb 1.28 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2vr6 h LYS 91 CO 0.45 0.47 0.00 -0.25 -2.00 0.00 0.00 179.45 178.12 2vr6 n ASP 92 N -4.49 0.23 -0.08 7.07 9.92 -1.26 -4.89 116.55 123.06 2vr6 n ASP 92 Ca 0.12 -1.45 -0.01 0.00 -0.53 0.00 0.00 54.79 52.92 2vr6 n ASP 92 Cb 0.28 -0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 40.74 2vr6 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2vr6 n GLY 93 N 0.84 0.37 3.54 0.44 0.00 10.16 -4.58 105.19 115.96 2vr6 n GLY 93 Ca 0.15 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 2vr6 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vr6 s VAL 94 N -2.03 4.31 -0.22 1.61 1.01 -1.20 -1.75 120.40 122.12 2vr6 s VAL 94 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2vr6 s VAL 94 Cb 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2vr6 s VAL 94 CO 0.00 0.45 0.07 0.00 0.00 0.00 0.00 175.10 175.62 2vr6 s ALA 95 N 0.63 3.27 -0.42 5.51 0.00 0.15 -0.57 121.76 130.32 2vr6 s ALA 95 Ca 0.01 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 2vr6 s ALA 95 Cb -0.14 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 20.97 2vr6 s ALA 95 CO 0.02 -0.22 0.53 0.34 0.00 0.00 0.00 175.76 176.43 2vr6 s ASP 96 N 1.12 6.25 -0.19 0.00 3.68 -1.26 -1.84 116.67 124.43 2vr6 s ASP 96 Ca 0.04 -0.50 -0.14 0.00 2.13 0.00 0.00 52.55 54.09 2vr6 s ASP 96 Cb -0.14 -2.27 -0.04 0.00 -1.45 0.00 0.00 42.92 39.02 2vr6 s ASP 96 CO 0.03 -0.66 0.31 -0.69 0.13 0.00 0.00 175.17 174.30 2vr6 s VAL 97 N 2.43 5.27 -0.31 1.11 1.01 -0.06 -4.89 120.40 124.96 2vr6 s VAL 97 Ca 0.17 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.73 2vr6 s VAL 97 Cb -0.16 -3.65 0.18 0.00 0.00 0.00 0.00 36.38 32.75 2vr6 s VAL 97 CO 0.16 0.32 0.49 -0.55 0.00 0.00 0.00 175.10 175.51 2vr6 s SER 98 N 0.85 -0.41 0.19 3.32 0.15 -1.25 -1.38 113.70 115.17 2vr6 s SER 98 Ca 0.16 -0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.47 2vr6 s SER 98 Cb -0.14 1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 65.59 2vr6 s SER 98 CO 0.06 -0.31 0.15 0.27 1.20 0.00 0.00 173.24 174.60 2vr6 s ILE 99 N 2.50 0.02 -0.08 6.45 -5.25 0.19 -5.01 121.20 120.02 2vr6 s ILE 99 Ca 0.11 -1.93 0.02 0.00 -0.99 0.00 0.00 60.65 57.86 2vr6 s ILE 99 Cb -0.11 -2.40 0.01 0.00 2.95 0.00 0.00 42.46 42.92 2vr6 s ILE 99 CO -0.25 -0.07 -0.12 -1.61 -1.79 0.00 0.00 174.94 171.10 2vr6 s GLU 100 N -4.13 1.75 -0.04 0.37 2.02 -1.26 -0.78 118.70 116.63 2vr6 s GLU 100 Ca 0.35 -0.42 0.04 0.00 0.02 0.00 0.00 54.97 54.97 2vr6 s GLU 100 Cb 0.06 -1.49 -0.00 0.00 0.10 0.00 0.00 34.13 32.81 2vr6 s GLU 100 CO 0.10 -0.01 -0.16 0.34 0.02 0.00 0.00 175.26 175.54 2vr6 s ASP 101 N 0.81 2.06 0.00 -0.19 2.15 -0.11 -4.94 116.67 116.45 2vr6 s ASP 101 Ca -0.12 -0.34 0.19 0.00 0.43 0.00 0.00 52.55 52.72 2vr6 s ASP 101 Cb -0.15 -0.58 0.30 0.00 -0.30 0.00 0.00 42.92 42.18 2vr6 s ASP 101 CO 0.02 0.14 1.24 -1.20 -0.17 0.00 0.00 175.17 175.20 2vr6 n SER 102 N 3.18 3.01 -0.08 -0.34 7.64 -1.26 -0.70 113.62 125.06 2vr6 n SER 102 Ca -0.18 -1.89 -0.13 0.00 1.01 0.00 0.00 58.87 57.69 2vr6 n SER 102 Cb 0.53 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 2vr6 n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2vr6 n VAL 103 N 1.17 0.95 -0.96 0.44 0.31 -1.26 -4.82 118.33 114.16 2vr6 n VAL 103 Ca 0.15 -0.34 -0.31 0.00 -0.01 0.00 0.00 64.34 63.82 2vr6 n VAL 103 Cb 0.52 -1.20 0.13 0.00 -0.91 0.00 0.00 33.84 32.38 2vr6 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2vr6 s ILE 104 N -2.33 2.49 0.13 2.52 -4.36 -1.26 -4.88 121.20 113.50 2vr6 s ILE 104 Ca -0.23 0.17 -0.09 0.00 -0.26 0.00 0.00 60.65 60.24 2vr6 s ILE 104 Cb 0.06 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 2vr6 s ILE 104 CO 0.37 -0.20 0.24 -0.55 0.24 0.00 0.00 174.94 175.04 2vr6 s SER 105 N -2.82 0.08 -0.10 4.36 0.15 -1.02 -4.68 113.70 109.67 2vr6 s SER 105 Ca 0.66 -0.77 0.15 0.00 0.70 0.00 0.00 55.95 56.69 2vr6 s SER 105 Cb -0.22 0.39 0.54 0.00 -1.71 0.00 0.00 66.02 65.02 2vr6 s SER 105 CO 0.56 -0.82 1.45 0.18 1.20 0.00 0.00 173.24 175.81 2vr6 n LEU 106 N -0.14 3.95 -3.88 3.45 4.77 -1.26 -1.69 117.00 122.20 2vr6 n LEU 106 Ca -0.11 -2.52 -0.08 0.00 -0.03 0.00 0.00 56.01 53.27 2vr6 n LEU 106 Cb 0.63 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2vr6 n LEU 106 CO 0.23 0.74 0.34 -0.94 -1.33 0.00 0.00 177.39 176.43 2vr6 s SER 107 N -1.27 -0.21 0.33 -1.43 1.04 -1.26 -4.87 113.70 106.02 2vr6 s SER 107 Ca 0.40 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2vr6 s SER 107 Cb 0.27 0.66 0.00 0.00 0.10 0.00 0.00 66.02 67.05 2vr6 s SER 107 CO 0.16 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2vr6 n GLY 108 N -0.41 -0.94 0.03 7.32 0.00 -1.26 -3.48 105.19 106.44 2vr6 n GLY 108 Ca -0.04 -1.18 0.14 0.00 0.00 0.00 0.00 46.02 44.93 2vr6 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vr6 n ASP 109 N -0.83 0.16 -1.63 1.61 8.00 -1.26 -1.81 116.55 120.79 2vr6 n ASP 109 Ca 0.00 -0.04 0.09 0.00 0.71 0.00 0.00 54.79 55.55 2vr6 n ASP 109 Cb 0.00 -0.25 0.36 0.00 -0.02 0.00 0.00 41.12 41.21 2vr6 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2vr6 n HIS 110 N -1.30 1.56 -2.09 1.24 8.25 -1.26 -4.90 115.22 116.72 2vr6 n HIS 110 Ca 0.11 -0.61 -0.42 0.00 -0.26 0.00 0.00 57.72 56.55 2vr6 n HIS 110 Cb 0.29 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 2vr6 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2vr6 n ILE 112 N 3.09 0.00 -1.89 0.00 -5.35 -0.68 -4.93 119.36 109.59 2vr6 n ILE 112 Ca 0.09 -0.19 -0.42 0.00 -0.27 0.00 0.00 62.75 61.97 2vr6 n ILE 112 Cb 0.41 1.15 -0.02 0.00 -1.74 0.00 0.00 39.64 39.44 2vr6 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2vr6 s ILE 113 N -2.53 2.39 0.00 7.28 1.01 -1.26 -1.80 121.20 126.29 2vr6 s ILE 113 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.10 2vr6 s ILE 113 Cb 0.16 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.43 2vr6 s ILE 113 CO 0.64 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.23 2vr6 n GLY 114 N 2.52 0.79 3.93 6.18 0.00 0.51 -4.99 105.19 114.13 2vr6 n GLY 114 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2vr6 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vr6 s ARG 115 N -0.15 2.25 -0.17 1.61 0.52 -0.75 -2.49 118.95 119.77 2vr6 s ARG 115 Ca 0.00 -1.99 -0.03 0.00 -0.52 0.00 0.00 55.73 53.19 2vr6 s ARG 115 Cb 0.00 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.27 2vr6 s ARG 115 CO 0.00 -0.69 -0.05 0.99 0.02 0.00 0.00 175.30 175.57 2vr6 s THR 116 N -2.78 3.61 -0.08 0.02 2.01 -1.01 -0.64 115.64 116.78 2vr6 s THR 116 Ca 0.38 -0.44 -0.18 0.00 0.31 0.00 0.00 61.69 61.76 2vr6 s THR 116 Cb -0.03 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 2vr6 s THR 116 CO 0.24 0.47 0.47 -0.22 -0.69 0.00 0.00 174.62 174.89 2vr6 s LEU 117 N 0.73 4.34 -0.03 4.42 2.96 -0.33 -0.03 118.68 130.74 2vr6 s LEU 117 Ca -0.02 0.89 0.04 0.00 -0.22 0.00 0.00 54.13 54.82 2vr6 s LEU 117 Cb -0.15 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 2vr6 s LEU 117 CO 0.02 0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.29 2vr6 s VAL 118 N 0.13 1.29 -0.10 1.68 1.01 0.25 -1.90 120.40 122.76 2vr6 s VAL 118 Ca 0.26 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2vr6 s VAL 118 Cb -0.16 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 2vr6 s VAL 118 CO 0.12 0.37 -0.11 0.54 0.00 0.00 0.00 175.10 176.02 2vr6 s VAL 119 N -0.12 3.31 0.29 2.92 0.11 -0.62 -1.54 120.40 124.74 2vr6 s VAL 119 Ca 0.01 -0.60 0.07 0.00 -2.93 0.00 0.00 61.98 58.53 2vr6 s VAL 119 Cb -0.09 -2.37 -0.03 0.00 -1.53 0.00 0.00 36.38 32.36 2vr6 s VAL 119 CO 0.01 0.55 0.25 -1.00 -3.33 0.00 0.00 175.10 171.58 2vr6 s HIS 120 N -0.17 3.03 0.20 1.54 3.76 0.01 -1.02 115.29 122.64 2vr6 s HIS 120 Ca 0.01 -0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.63 2vr6 s HIS 120 Cb -0.13 -1.58 0.13 0.00 1.11 0.00 0.00 32.58 32.10 2vr6 s HIS 120 CO 0.03 0.37 1.76 1.49 -0.85 0.00 0.00 174.74 177.54 2vr6 h GLU 121 N 1.37 1.07 -5.54 1.40 4.81 -1.03 -3.37 114.58 113.29 2vr6 h GLU 121 Ca -0.47 -0.19 -0.59 0.00 -0.13 0.00 0.00 59.36 57.98 2vr6 h GLU 121 Cb 1.25 -0.18 -0.13 0.00 0.63 0.00 0.00 28.75 30.32 2vr6 h GLU 121 CO 0.60 0.88 -0.60 0.15 -0.73 0.00 0.00 179.01 179.30 2vr6 s LYS 122 N -5.57 1.90 0.39 1.92 1.02 -0.40 -4.91 119.74 114.08 2vr6 s LYS 122 Ca -0.13 -2.07 -0.26 0.00 0.02 0.00 0.00 55.97 53.53 2vr6 s LYS 122 Cb 0.15 -1.45 -0.09 0.00 -0.52 0.00 0.00 37.83 35.91 2vr6 s LYS 122 CO 0.82 -0.09 1.26 0.00 -0.92 0.00 0.00 175.35 176.42 2vr6 s ALA 123 N -2.85 3.28 -0.01 5.17 0.00 -1.14 -0.89 121.76 125.31 2vr6 s ALA 123 Ca 0.34 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 2vr6 s ALA 123 Cb 0.09 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2vr6 s ALA 123 CO 0.17 -0.69 1.17 0.34 0.00 0.00 0.00 175.76 176.75 2vr6 s ASP 124 N -0.81 7.10 0.00 0.00 -1.08 -1.26 -3.99 116.67 116.63 2vr6 s ASP 124 Ca 0.55 1.85 0.22 0.00 -0.52 0.00 0.00 52.55 54.65 2vr6 s ASP 124 Cb -0.36 -2.57 1.32 0.00 -1.46 0.00 0.00 42.92 39.86 2vr6 s ASP 124 CO 0.46 -0.50 1.84 -0.90 0.52 0.00 0.00 175.17 176.59 2vr6 n ASP 125 N 4.63 0.00 -0.96 -0.34 5.68 -0.14 -4.88 116.55 120.55 2vr6 n ASP 125 Ca 0.10 -1.27 -0.13 0.00 -0.50 0.00 0.00 54.79 53.00 2vr6 n ASP 125 Cb 0.47 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.40 2vr6 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2vr6 n LEU 126 N -0.85 -0.74 0.00 -2.12 4.77 -1.26 -1.57 117.00 115.23 2vr6 n LEU 126 Ca 0.17 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2vr6 n LEU 126 Cb 0.08 -2.27 0.00 0.00 -2.33 0.00 0.00 43.42 38.90 2vr6 n LEU 126 CO 0.12 -0.83 0.00 0.61 -1.33 0.00 0.00 177.39 175.96 2vr6 n GLY 127 N -0.74 0.75 0.63 -0.72 0.00 -1.25 -4.14 105.19 99.72 2vr6 n GLY 127 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.98 2vr6 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vr6 n LYS 128 N -2.20 2.49 0.00 1.61 4.76 -0.61 -4.61 118.16 119.61 2vr6 n LYS 128 Ca 0.00 -2.67 0.11 0.00 -2.87 0.00 0.00 58.31 52.88 2vr6 n LYS 128 Cb 0.00 -1.68 0.50 0.00 -1.84 0.00 0.00 35.03 32.01 2vr6 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2vr6 n GLY 129 N -0.68 -1.32 1.71 0.72 0.00 -1.26 -4.91 105.19 99.45 2vr6 n GLY 129 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2vr6 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vr6 n GLY 130 N 0.94 0.49 3.22 -0.02 0.00 -1.26 -5.02 105.19 103.55 2vr6 n GLY 130 Ca 0.06 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 2vr6 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vr6 s ASN 131 N -2.85 0.20 0.28 1.61 2.20 -1.26 -5.06 114.94 110.06 2vr6 s ASN 131 Ca 0.00 -1.10 -0.04 0.00 -0.94 0.00 0.00 52.86 50.78 2vr6 s ASN 131 Cb 0.00 0.35 0.36 0.00 -2.00 0.00 0.00 41.25 39.96 2vr6 s ASN 131 CO 0.00 -0.80 1.92 -0.08 -2.94 0.00 0.00 177.10 175.20 2vr6 h GLU 132 N 2.73 1.13 0.00 3.55 4.57 -2.01 -2.07 114.58 122.48 2vr6 h GLU 132 Ca -0.34 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 57.70 2vr6 h GLU 132 Cb 1.21 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 2vr6 h GLU 132 CO 0.55 0.79 -0.18 1.49 -1.18 0.00 0.00 179.01 180.48 2vr6 h GLU 133 N 1.14 0.00 -0.88 1.92 4.57 -2.00 -2.68 114.58 116.66 2vr6 h GLU 133 Ca 0.30 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.53 2vr6 h GLU 133 Cb -0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 2vr6 h GLU 133 CO -0.06 0.18 0.57 1.03 -1.18 0.00 0.00 179.01 179.56 2vr6 h SER 134 N 0.00 0.91 -0.02 1.04 0.87 -1.73 0.61 113.55 115.23 2vr6 h SER 134 Ca -0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2vr6 h SER 134 Cb 0.39 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2vr6 h SER 134 CO 0.02 0.61 0.00 0.35 -0.53 0.00 0.00 176.83 177.28 2vr6 n THR 135 N -4.46 0.01 -0.08 2.23 -2.24 -1.01 -2.10 114.28 106.62 2vr6 n THR 135 Ca 0.12 -0.11 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 2vr6 n THR 135 Cb 0.15 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 2vr6 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2vr6 n LYS 136 N -0.50 0.40 0.00 -0.78 5.02 -0.44 -1.12 118.16 120.74 2vr6 n LYS 136 Ca 0.21 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 2vr6 n LYS 136 Cb 0.20 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2vr6 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2vr6 n THR 137 N -3.98 0.00 -0.76 -0.18 -2.24 0.08 -4.53 114.28 102.68 2vr6 n THR 137 Ca -0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2vr6 n THR 137 Cb 0.63 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2vr6 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vr6 n GLY 138 N 1.94 0.82 3.57 3.38 0.00 -0.89 -4.45 105.19 109.57 2vr6 n GLY 138 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2vr6 n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vr6 n ASN 139 N 0.00 -6.25 -0.56 1.61 3.02 -1.26 -0.97 115.26 110.85 2vr6 n ASN 139 Ca 0.00 -0.54 0.08 0.00 -0.03 0.00 0.00 54.58 54.09 2vr6 n ASN 139 Cb 0.00 -4.99 0.27 0.00 -0.61 0.00 0.00 39.78 34.45 2vr6 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vr6 n ALA 140 N -4.97 2.49 -0.33 5.41 0.00 -1.26 -4.77 120.51 117.08 2vr6 n ALA 140 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2vr6 n ALA 140 Cb 0.56 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2vr6 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vr6 n GLY 141 N 1.07 -0.54 3.75 0.00 0.00 -1.26 -1.27 105.19 106.93 2vr6 n GLY 141 Ca 0.14 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 2vr6 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vr6 s SER 142 N -4.00 4.15 -0.52 1.61 1.04 -1.26 -4.62 113.70 110.10 2vr6 s SER 142 Ca 0.00 1.75 -0.20 0.00 0.48 0.00 0.00 55.95 57.97 2vr6 s SER 142 Cb 0.00 -2.43 0.05 0.00 0.10 0.00 0.00 66.02 63.75 2vr6 s SER 142 CO 0.00 -2.25 0.71 -0.13 0.98 0.00 0.00 173.24 172.55 2vr6 s ARG 143 N -4.90 3.18 0.03 4.02 0.52 -1.26 -0.97 118.95 119.57 2vr6 s ARG 143 Ca 0.62 -0.72 -0.12 0.00 -0.52 0.00 0.00 55.73 54.99 2vr6 s ARG 143 Cb -0.18 -4.09 -0.33 0.00 0.52 0.00 0.00 34.95 30.88 2vr6 s ARG 143 CO 0.56 -1.29 0.98 -0.07 0.02 0.00 0.00 175.30 175.50 2vr6 h LEU 144 N 10.05 0.70 -7.41 2.53 3.38 -1.39 -3.47 115.31 119.70 2vr6 h LEU 144 Ca -0.27 -0.79 -0.08 0.00 0.09 0.00 0.00 57.88 56.82 2vr6 h LEU 144 Cb 1.09 -0.23 -0.17 0.00 0.09 0.00 0.00 40.66 41.44 2vr6 h LEU 144 CO 1.00 1.63 -0.14 0.00 0.09 0.00 0.00 178.44 181.02 2vr6 s ALA 145 N -2.61 -0.94 0.28 1.53 0.00 -1.15 -4.07 121.76 114.79 2vr6 s ALA 145 Ca -0.09 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 2vr6 s ALA 145 Cb 0.05 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.51 2vr6 s ALA 145 CO 0.92 -0.43 0.70 0.00 0.00 0.00 0.00 175.76 176.95 2vr6 s GLY 147 N -2.93 -0.46 0.17 0.00 0.00 -0.80 -1.43 107.32 101.87 2vr6 s GLY 147 Ca 0.12 1.05 -0.28 0.00 0.00 0.00 0.00 44.72 45.61 2vr6 s GLY 147 CO 0.07 0.38 0.87 0.14 0.00 0.00 0.00 173.10 174.56 2vr6 s VAL 148 N -3.01 4.33 -0.19 1.40 1.01 -1.26 -1.19 120.40 121.50 2vr6 s VAL 148 Ca 0.04 1.90 -0.25 0.00 0.00 0.00 0.00 61.98 63.68 2vr6 s VAL 148 Cb -0.01 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2vr6 s VAL 148 CO -0.08 0.46 0.82 -0.63 0.00 0.00 0.00 175.10 175.66 2vr6 s ILE 149 N -0.80 4.88 0.26 2.22 1.01 0.19 -4.57 121.20 124.39 2vr6 s ILE 149 Ca 0.40 1.59 0.10 0.00 0.00 0.00 0.00 60.65 62.74 2vr6 s ILE 149 Cb -0.24 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 2vr6 s ILE 149 CO 0.29 0.01 -0.05 -0.83 0.00 0.00 0.00 174.94 174.36 2vr6 s GLY 150 N 1.19 1.71 0.20 6.18 0.00 -0.05 -0.36 107.32 116.18 2vr6 s GLY 150 Ca 0.37 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.11 2vr6 s GLY 150 CO 0.11 -1.74 1.32 -0.42 0.00 0.00 0.00 173.10 172.37 2vr6 s ILE 151 N -2.29 3.17 0.29 0.90 1.01 -1.26 -0.89 121.20 122.13 2vr6 s ILE 151 Ca 0.30 0.96 0.11 0.00 0.00 0.00 0.00 60.65 62.03 2vr6 s ILE 151 Cb -0.06 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2vr6 s ILE 151 CO 0.18 0.14 -0.15 0.00 0.00 0.00 0.00 174.94 175.12 2vr6 s ALA 152 N 0.13 2.86 -2.00 9.38 0.00 -0.79 -4.79 121.76 126.54 2vr6 s ALA 152 Ca 0.57 -1.87 0.16 0.00 0.00 0.00 0.00 51.96 50.82 2vr6 s ALA 152 Cb -0.37 -0.33 0.94 0.00 0.00 0.00 0.00 23.12 23.36 2vr6 s ALA 152 CO 0.38 0.25 1.35 0.94 0.00 0.00 0.00 175.76 178.69