#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 1.00 0.00 0.00 -4.23 -0.48 -4.99 115.64 106.94 2vr6 s THR 2 Ca 0.00 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 2vr6 s THR 2 Cb 0.00 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 2vr6 s THR 2 CO 0.00 -0.30 0.04 -0.54 -0.54 0.00 0.00 174.62 173.28 2vr6 s LYS 3 N -3.87 0.27 0.18 3.99 1.02 -1.26 -1.08 119.74 118.98 2vr6 s LYS 3 Ca 0.29 -0.32 -0.03 0.00 0.02 0.00 0.00 55.97 55.93 2vr6 s LYS 3 Cb 0.06 0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.44 2vr6 s LYS 3 CO 0.09 -0.05 0.16 0.00 -0.92 0.00 0.00 175.35 174.63 2vr6 s ALA 4 N -0.93 0.78 0.06 5.17 0.00 -0.37 -1.41 121.76 125.07 2vr6 s ALA 4 Ca -0.10 -1.44 -0.16 0.00 0.00 0.00 0.00 51.96 50.26 2vr6 s ALA 4 Cb -0.06 1.11 0.03 0.00 0.00 0.00 0.00 23.12 24.20 2vr6 s ALA 4 CO 0.00 -0.59 0.37 0.54 0.00 0.00 0.00 175.76 176.08 2vr6 s VAL 5 N -4.08 0.07 -0.09 0.00 0.11 0.04 -0.89 120.40 115.56 2vr6 s VAL 5 Ca 0.30 -0.59 -0.05 0.00 -2.93 0.00 0.00 61.98 58.71 2vr6 s VAL 5 Cb 0.06 -1.02 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2vr6 s VAL 5 CO 0.07 -0.32 0.21 0.00 -3.33 0.00 0.00 175.10 171.72 2vr6 s VAL 7 N 1.15 4.44 -0.17 0.00 1.01 -1.26 -1.09 120.40 124.48 2vr6 s VAL 7 Ca -0.09 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 2vr6 s VAL 7 Cb -0.10 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2vr6 s VAL 7 CO -0.07 0.21 0.31 -0.76 0.00 0.00 0.00 175.10 174.79 2vr6 s LEU 8 N 1.61 4.23 0.05 3.92 1.02 0.42 -3.91 118.68 126.02 2vr6 s LEU 8 Ca 0.05 0.50 -0.03 0.00 0.02 0.00 0.00 54.13 54.67 2vr6 s LEU 8 Cb -0.16 -2.39 -0.03 0.00 0.02 0.00 0.00 46.19 43.63 2vr6 s LEU 8 CO 0.05 0.07 0.03 -0.54 0.02 0.00 0.00 176.35 175.98 2vr6 s LYS 9 N 0.61 0.63 0.00 1.70 -0.14 -0.28 -1.70 119.74 120.56 2vr6 s LYS 9 Ca 0.17 -1.07 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 2vr6 s LYS 9 Cb -0.13 0.23 0.00 0.00 -1.68 0.00 0.00 37.83 36.25 2vr6 s LYS 9 CO 0.05 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 174.91 2vr6 n GLY 10 N 0.26 3.55 0.08 -3.33 0.00 -1.25 -1.12 105.19 103.38 2vr6 n GLY 10 Ca -0.15 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.06 2vr6 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vr6 h ASP 11 N 0.00 0.00 -1.71 1.61 3.32 -1.91 -3.46 116.42 114.27 2vr6 h ASP 11 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2vr6 h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2vr6 h ASP 11 CO 0.00 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.21 2vr6 n GLY 12 N 1.30 2.36 0.05 2.75 0.00 -1.26 -5.02 105.19 105.36 2vr6 n GLY 12 Ca 0.03 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 0.28 -2.14 1.61 -0.04 -1.26 -4.86 135.00 128.59 2vr6 n PRO 13 Ca 0.00 -0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 2vr6 n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.79 3.26 0.08 0.52 1.01 -1.26 -4.54 120.40 116.69 2vr6 s VAL 14 Ca 0.19 0.87 -0.23 0.00 0.00 0.00 0.00 61.98 62.82 2vr6 s VAL 14 Cb 0.19 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 33.07 2vr6 s VAL 14 CO 0.55 0.06 0.55 0.00 0.00 0.00 0.00 175.10 176.26 2vr6 s GLN 15 N 1.35 1.12 0.08 2.72 -2.07 -0.99 -3.84 119.66 118.02 2vr6 s GLN 15 Ca 0.66 -0.31 -0.25 0.00 -1.82 0.00 0.00 55.36 53.63 2vr6 s GLN 15 Cb -0.37 0.51 0.09 0.00 -1.09 0.00 0.00 33.01 32.15 2vr6 s GLN 15 CO 0.30 -0.43 1.16 0.20 -1.32 0.00 0.00 175.29 175.20 2vr6 s GLY 16 N -2.22 -0.03 -0.08 2.60 0.00 -0.69 -0.65 107.32 106.25 2vr6 s GLY 16 Ca -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.59 2vr6 s GLY 16 CO -0.05 3.69 -0.07 -0.42 0.00 0.00 0.00 173.10 176.25 2vr6 s ILE 17 N -2.14 0.84 -0.07 0.90 1.01 -0.60 -0.44 121.20 120.70 2vr6 s ILE 17 Ca 0.25 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.70 2vr6 s ILE 17 Cb -0.01 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2vr6 s ILE 17 CO 0.02 0.31 -0.19 -0.63 0.00 0.00 0.00 174.94 174.46 2vr6 s ILE 18 N 1.28 1.62 0.09 2.92 -1.09 -0.25 -1.63 121.20 124.13 2vr6 s ILE 18 Ca -0.04 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 57.63 2vr6 s ILE 18 Cb -0.14 -1.41 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 2vr6 s ILE 18 CO -0.03 0.46 0.07 0.20 -1.23 0.00 0.00 174.94 174.42 2vr6 s ASN 19 N 0.34 5.46 0.01 3.58 0.01 0.77 -0.47 114.94 124.65 2vr6 s ASN 19 Ca -0.13 -0.04 0.05 0.00 -0.71 0.00 0.00 52.86 52.03 2vr6 s ASN 19 Cb -0.16 -1.45 -0.02 0.00 0.41 0.00 0.00 41.25 40.04 2vr6 s ASN 19 CO 0.05 0.17 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.30 2vr6 s PHE 20 N -1.40 1.29 -0.03 2.20 0.40 -0.06 -1.27 117.98 119.10 2vr6 s PHE 20 Ca 0.29 -0.29 -0.01 0.00 -0.60 0.00 0.00 56.93 56.32 2vr6 s PHE 20 Cb -0.12 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.63 2vr6 s PHE 20 CO 0.22 0.01 0.06 -2.00 0.70 0.00 0.00 175.22 174.20 2vr6 s GLU 21 N -0.66 0.02 -0.21 0.44 2.12 -0.26 -1.24 118.70 118.90 2vr6 s GLU 21 Ca 0.04 0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.55 2vr6 s GLU 21 Cb -0.06 -0.15 0.06 0.00 0.26 0.00 0.00 34.13 34.24 2vr6 s GLU 21 CO 0.00 -0.12 0.02 -1.14 -0.54 0.00 0.00 175.26 173.48 2vr6 s GLN 22 N 0.77 0.92 0.22 4.30 0.74 -0.24 -0.87 119.66 125.50 2vr6 s GLN 22 Ca -0.06 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 54.73 2vr6 s GLN 22 Cb -0.09 -2.23 0.19 0.00 1.10 0.00 0.00 33.01 31.98 2vr6 s GLN 22 CO -0.03 -0.66 1.54 0.87 -0.55 0.00 0.00 175.29 176.46 2vr6 h LYS 23 N 8.15 0.39 -5.14 1.67 1.57 -1.82 -1.27 116.57 120.12 2vr6 h LYS 23 Ca -0.16 -0.26 -0.41 0.00 -1.87 0.00 0.00 60.65 57.95 2vr6 h LYS 23 Cb 1.10 0.03 -0.25 0.00 0.08 0.00 0.00 32.23 33.20 2vr6 h LYS 23 CO 0.37 0.86 -0.78 -1.83 -0.57 0.00 0.00 179.45 177.49 2vr6 s GLU 24 N -3.88 0.84 0.16 3.15 1.03 -1.26 -3.11 118.70 115.63 2vr6 s GLU 24 Ca -0.06 -0.71 -0.33 0.00 0.03 0.00 0.00 54.97 53.90 2vr6 s GLU 24 Cb 0.12 -0.82 -0.16 0.00 -0.80 0.00 0.00 34.13 32.47 2vr6 s GLU 24 CO 0.82 0.20 1.10 0.43 -1.33 0.00 0.00 175.26 176.47 2vr6 n SER 25 N 1.93 1.01 -0.08 0.83 7.64 -1.26 -0.37 113.62 123.31 2vr6 n SER 25 Ca -0.18 1.14 -0.01 0.00 1.01 0.00 0.00 58.87 60.83 2vr6 n SER 25 Cb 0.55 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2vr6 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2vr6 n ASN 26 N 1.94 -4.02 -4.31 6.43 4.13 -1.26 -4.97 115.26 113.20 2vr6 n ASN 26 Ca 0.15 0.02 -0.28 0.00 1.68 0.00 0.00 54.58 56.15 2vr6 n ASN 26 Cb 0.23 -2.57 0.16 0.00 -1.54 0.00 0.00 39.78 36.06 2vr6 n ASN 26 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2vr6 s GLY 27 N -1.40 1.76 0.60 7.41 0.00 0.50 -5.04 107.32 111.17 2vr6 s GLY 27 Ca 0.00 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 43.26 2vr6 s GLY 27 CO 0.00 -0.56 1.27 -4.14 0.00 0.00 0.00 173.10 169.67 2vr6 s PRO 28 N -5.71 2.84 -0.22 2.90 0.02 -1.26 -4.89 135.00 128.68 2vr6 s PRO 28 Ca 0.71 2.00 -0.05 0.00 0.02 0.00 0.00 61.00 63.68 2vr6 s PRO 28 Cb -0.05 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 2vr6 s PRO 28 CO 0.51 -1.35 0.01 0.08 -0.33 0.00 0.00 177.00 175.91 2vr6 s VAL 29 N -1.45 3.86 0.02 3.83 1.01 0.08 -4.34 120.40 123.41 2vr6 s VAL 29 Ca 0.78 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 62.15 2vr6 s VAL 29 Cb -0.35 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2vr6 s VAL 29 CO 0.38 0.40 0.90 -0.54 0.00 0.00 0.00 175.10 176.24 2vr6 s LYS 30 N 1.39 4.56 -0.16 2.72 1.02 -0.05 -1.07 119.74 128.15 2vr6 s LYS 30 Ca 0.05 1.29 0.01 0.00 0.02 0.00 0.00 55.97 57.33 2vr6 s LYS 30 Cb -0.15 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.76 2vr6 s LYS 30 CO 0.01 0.07 -0.15 0.08 -0.92 0.00 0.00 175.35 174.44 2vr6 s VAL 31 N 0.61 1.68 -0.04 3.17 1.01 0.11 -1.10 120.40 125.84 2vr6 s VAL 31 Ca 0.47 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 2vr6 s VAL 31 Cb -0.21 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.64 2vr6 s VAL 31 CO 0.26 0.46 0.45 -1.66 0.00 0.00 0.00 175.10 174.61 2vr6 s TRP 32 N 1.44 -0.37 -3.57 5.22 -2.14 -0.40 -0.65 118.94 118.47 2vr6 s TRP 32 Ca 0.05 0.63 0.00 0.00 2.66 0.00 0.00 56.10 59.44 2vr6 s TRP 32 Cb -0.13 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.45 2vr6 s TRP 32 CO -0.11 -0.46 0.00 0.41 -2.66 0.00 0.00 176.95 174.13 2vr6 n GLY 33 N 1.25 -0.54 3.31 3.67 0.00 -0.43 -0.16 105.19 112.29 2vr6 n GLY 33 Ca -0.20 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.39 -0.05 1.61 0.15 -0.65 -0.68 113.70 109.70 2vr6 s SER 34 Ca 0.00 0.66 0.03 0.00 0.70 0.00 0.00 55.95 57.34 2vr6 s SER 34 Cb 0.00 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2vr6 s SER 34 CO 0.00 -0.24 -0.13 -0.63 1.20 0.00 0.00 173.24 173.44 2vr6 s ILE 35 N -0.21 1.14 0.40 6.45 1.01 -0.46 -1.56 121.20 127.96 2vr6 s ILE 35 Ca -0.04 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.16 2vr6 s ILE 35 Cb -0.03 -1.01 -0.07 0.00 0.01 0.00 0.00 42.46 41.35 2vr6 s ILE 35 CO 0.02 0.35 0.02 -1.59 0.00 0.00 0.00 174.94 173.73 2vr6 s LYS 36 N 0.32 1.98 0.00 2.79 -2.85 0.18 -0.35 119.74 121.80 2vr6 s LYS 36 Ca -0.08 -2.03 0.00 0.00 -1.00 0.00 0.00 55.97 52.86 2vr6 s LYS 36 Cb -0.12 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.94 2vr6 s LYS 36 CO 0.02 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.86 2vr6 n GLY 37 N -0.98 0.88 3.86 0.59 0.00 -1.00 -2.36 105.19 106.18 2vr6 n GLY 37 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 3.72 0.49 0.99 1.43 -0.74 -4.53 118.68 120.04 2vr6 s LEU 38 Ca 0.00 1.30 -0.22 0.00 -1.03 0.00 0.00 54.13 54.18 2vr6 s LEU 38 Cb 0.00 -4.21 -0.06 0.00 0.03 0.00 0.00 46.19 41.94 2vr6 s LEU 38 CO 0.00 -0.49 1.22 0.42 0.23 0.00 0.00 176.35 177.73 2vr6 s THR 39 N -2.51 2.78 0.27 5.49 -4.23 -1.26 -4.06 115.64 112.12 2vr6 s THR 39 Ca 0.54 0.58 -0.30 0.00 -1.18 0.00 0.00 61.69 61.33 2vr6 s THR 39 Cb -0.10 -3.29 -0.13 0.00 1.34 0.00 0.00 72.50 70.32 2vr6 s THR 39 CO 0.33 -0.02 1.37 1.21 -0.54 0.00 0.00 174.62 176.97 2vr6 n GLU 40 N -0.72 2.05 0.00 3.99 2.13 -1.26 -4.56 120.64 122.28 2vr6 n GLU 40 Ca 0.09 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2vr6 n GLU 40 Cb 0.47 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.83 2vr6 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vr6 n GLY 41 N 1.75 -0.10 3.77 8.31 0.00 -0.24 -4.91 105.19 113.78 2vr6 n GLY 41 Ca 0.10 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 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 4.43 -0.02 0.99 1.43 -1.26 -0.89 118.68 123.35 2vr6 s LEU 42 Ca 0.00 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2vr6 s LEU 42 Cb 0.00 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.35 2vr6 s LEU 42 CO 0.00 -0.01 0.03 -1.00 0.23 0.00 0.00 176.35 175.60 2vr6 s HIS 43 N -1.49 0.06 0.69 0.29 3.76 0.20 -2.81 115.29 116.00 2vr6 s HIS 43 Ca 0.48 0.12 -0.17 0.00 -0.15 0.00 0.00 55.06 55.34 2vr6 s HIS 43 Cb -0.21 -0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.22 2vr6 s HIS 43 CO 0.26 -0.10 1.11 0.41 -0.85 0.00 0.00 174.74 175.57 2vr6 n GLY 44 N 4.19 -0.04 2.91 -2.22 0.00 -0.07 -1.34 105.19 108.63 2vr6 n GLY 44 Ca -0.28 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.66 -0.93 0.03 1.61 5.36 -1.26 -0.79 117.98 120.33 2vr6 s PHE 45 Ca 0.77 0.52 0.04 0.00 -0.96 0.00 0.00 56.93 57.30 2vr6 s PHE 45 Cb -0.36 -0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.21 2vr6 s PHE 45 CO 0.46 -0.88 -0.12 -1.01 -1.46 0.00 0.00 175.22 172.21 2vr6 s HIS 46 N 2.54 1.06 -0.26 10.12 3.76 -0.59 -2.91 115.29 129.02 2vr6 s HIS 46 Ca 0.11 -0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 54.50 2vr6 s HIS 46 Cb -0.14 -0.64 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 2vr6 s HIS 46 CO -0.25 0.01 0.59 0.08 -0.85 0.00 0.00 174.74 174.33 2vr6 s VAL 47 N -0.78 5.00 0.23 -0.90 1.01 -0.22 -0.73 120.40 124.01 2vr6 s VAL 47 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 61.98 63.00 2vr6 s VAL 47 Cb -0.07 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2vr6 s VAL 47 CO 0.01 0.02 0.40 -1.00 0.00 0.00 0.00 175.10 174.53 2vr6 s HIS 48 N 2.46 3.48 0.16 5.22 3.76 0.66 -0.90 115.29 130.12 2vr6 s HIS 48 Ca 0.24 0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 55.27 2vr6 s HIS 48 Cb -0.15 -1.79 0.04 0.00 1.11 0.00 0.00 32.58 31.79 2vr6 s HIS 48 CO 0.09 0.36 1.71 1.49 -0.85 0.00 0.00 174.74 177.54 2vr6 h GLU 49 N 1.65 0.77 -6.04 1.40 4.81 -0.70 -2.65 114.58 113.82 2vr6 h GLU 49 Ca -0.49 -0.14 -0.68 0.00 -0.13 0.00 0.00 59.36 57.92 2vr6 h GLU 49 Cb 1.20 -0.13 -0.19 0.00 0.63 0.00 0.00 28.75 30.26 2vr6 h GLU 49 CO 0.66 0.68 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.86 2vr6 s PHE 50 N -5.56 2.94 -0.67 0.92 0.08 -0.16 -4.64 117.98 110.90 2vr6 s PHE 50 Ca -0.13 -0.03 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 2vr6 s PHE 50 Cb 0.12 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.84 2vr6 s PHE 50 CO 0.78 0.28 2.84 0.41 -0.10 0.00 0.00 175.22 179.43 2vr6 n GLY 51 N 2.39 4.32 3.09 4.36 0.00 -1.06 -3.83 105.19 114.46 2vr6 n GLY 51 Ca -0.18 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 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 0.77 4.62 -0.17 1.61 -1.08 -1.26 -4.95 116.67 116.20 2vr6 s ASP 52 Ca 0.60 -1.50 0.16 0.00 -0.52 0.00 0.00 52.55 51.29 2vr6 s ASP 52 Cb 0.31 -1.61 0.60 0.00 -1.46 0.00 0.00 42.92 40.76 2vr6 s ASP 52 CO -0.14 -0.24 1.51 -3.20 0.52 0.00 0.00 175.17 173.61 2vr6 n ASN 53 N 4.45 4.33 0.21 -0.34 5.15 -1.26 -3.31 115.26 124.50 2vr6 n ASN 53 Ca -0.11 -2.86 0.07 0.00 -0.60 0.00 0.00 54.58 51.08 2vr6 n ASN 53 Cb 0.42 -0.55 0.49 0.00 -0.53 0.00 0.00 39.78 39.60 2vr6 n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2vr6 h THR 54 N 2.55 0.93 -0.88 -0.44 1.35 -1.93 -2.25 112.91 112.24 2vr6 h THR 54 Ca 0.00 -1.03 -0.58 0.00 -0.55 0.00 0.00 66.41 64.25 2vr6 h THR 54 Cb 1.51 1.60 -0.41 0.00 -1.73 0.00 0.00 68.15 69.13 2vr6 h THR 54 CO 0.27 0.27 -0.53 0.00 -0.25 0.00 0.00 175.52 175.28 2vr6 n ALA 55 N -2.37 5.25 -0.64 6.62 0.00 -1.26 -5.06 120.51 123.05 2vr6 n ALA 55 Ca -0.01 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.62 2vr6 n ALA 55 Cb 0.36 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.72 0.51 0.19 0.00 0.00 -0.85 -2.78 105.19 101.54 2vr6 n GLY 56 Ca 0.46 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 1.18 0.00 0.00 2.02 -1.86 -2.49 112.91 111.76 2vr6 h THR 58 Ca 0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2vr6 h THR 58 Cb 0.43 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2vr6 h THR 58 CO 0.00 0.24 0.00 -1.54 0.37 0.00 0.00 175.52 174.59 2vr6 n SER 59 N -4.28 0.00 0.02 4.18 3.41 -1.13 -3.63 113.62 112.18 2vr6 n SER 59 Ca -0.00 -1.57 0.11 0.00 -0.26 0.00 0.00 58.87 57.15 2vr6 n SER 59 Cb 0.26 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.67 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 -0.68 2.00 -0.09 7.33 0.00 -0.94 -4.45 120.51 123.68 2vr6 n ALA 60 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2vr6 n ALA 60 Cb 0.04 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 0.76 -1.77 3.94 0.00 0.00 -1.24 -0.99 105.19 105.90 2vr6 n GLY 61 Ca 0.05 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 2vr6 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2vr6 s PRO 62 N 0.00 0.51 0.31 1.61 0.04 -1.26 -4.56 135.00 131.64 2vr6 s PRO 62 Ca 0.00 -0.53 -0.29 0.00 0.04 0.00 0.00 61.00 60.22 2vr6 s PRO 62 Cb 0.00 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.56 2vr6 s PRO 62 CO 0.00 -2.48 1.32 0.72 0.04 0.00 0.00 177.00 176.59 2vr6 n HIS 63 N -3.78 2.21 -1.83 0.56 8.25 -1.26 -0.84 115.22 118.52 2vr6 n HIS 63 Ca 0.16 0.52 -0.42 0.00 -0.26 0.00 0.00 57.72 57.72 2vr6 n HIS 63 Cb 0.59 -2.42 -0.03 0.00 1.12 0.00 0.00 29.99 29.25 2vr6 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2vr6 s PHE 64 N -0.76 1.61 -0.41 4.41 5.36 -0.08 -4.58 117.98 123.53 2vr6 s PHE 64 Ca 0.60 -0.05 0.09 0.00 -0.96 0.00 0.00 56.93 56.60 2vr6 s PHE 64 Cb -0.60 -4.07 0.33 0.00 -0.34 0.00 0.00 43.02 38.34 2vr6 s PHE 64 CO 0.58 -4.59 0.86 -1.71 -1.46 0.00 0.00 175.22 168.90 2vr6 n ASN 65 N 7.77 -0.52 0.30 6.13 5.15 -1.26 -1.39 115.26 131.44 2vr6 n ASN 65 Ca 0.20 -3.25 0.20 0.00 -0.60 0.00 0.00 54.58 51.12 2vr6 n ASN 65 Cb 0.42 0.41 0.93 0.00 -0.53 0.00 0.00 39.78 41.01 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 3.12 0.00 -0.39 1.20 0.13 -1.92 -2.50 132.00 131.64 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 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2vr6 h PRO 66 CO 0.36 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.42 2vr6 n LEU 67 N -3.12 2.92 -3.67 1.56 4.77 -1.26 -4.98 117.00 113.21 2vr6 n LEU 67 Ca -0.01 -1.31 -0.22 0.00 -0.03 0.00 0.00 56.01 54.44 2vr6 n LEU 67 Cb 0.20 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2vr6 n LEU 67 CO 0.24 0.65 0.03 -1.20 -1.33 0.00 0.00 177.39 175.78 2vr6 n SER 68 N 1.12 -2.45 -5.00 -1.43 7.64 -0.94 -4.99 113.62 107.56 2vr6 n SER 68 Ca 0.19 -0.75 -0.19 0.00 1.01 0.00 0.00 58.87 59.13 2vr6 n SER 68 Cb 0.51 -4.34 0.02 0.00 -1.01 0.00 0.00 64.21 59.39 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 -5.99 2.60 0.66 1.43 1.81 -1.26 -5.11 118.95 113.08 2vr6 s ARG 69 Ca 0.17 -1.43 -0.11 0.00 -1.72 0.00 0.00 55.73 52.64 2vr6 s ARG 69 Cb -0.08 -2.67 -0.01 0.00 -0.45 0.00 0.00 34.95 31.74 2vr6 s ARG 69 CO 0.79 -0.48 1.05 0.15 -0.68 0.00 0.00 175.30 176.13 2vr6 s LYS 70 N -4.44 3.20 0.29 3.54 -0.14 -1.26 -4.73 119.74 116.19 2vr6 s LYS 70 Ca 0.56 0.56 -0.29 0.00 -1.36 0.00 0.00 55.97 55.44 2vr6 s LYS 70 Cb -0.08 -2.07 -0.10 0.00 -1.68 0.00 0.00 37.83 33.91 2vr6 s LYS 70 CO 0.34 -0.80 1.20 -1.58 -0.76 0.00 0.00 175.35 173.75 2vr6 s HIS 71 N -3.25 3.34 0.00 3.18 5.65 -0.32 -3.12 115.29 120.76 2vr6 s HIS 71 Ca 0.56 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.41 2vr6 s HIS 71 Cb -0.11 -3.47 0.00 0.00 -1.18 0.00 0.00 32.58 27.82 2vr6 s HIS 71 CO 0.52 -1.19 0.00 0.41 -0.65 0.00 0.00 174.74 173.83 2vr6 n GLY 72 N 1.17 3.45 3.91 1.59 0.00 -1.25 -4.48 105.19 109.58 2vr6 n GLY 72 Ca 0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 2vr6 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vr6 s GLY 73 N -0.53 1.54 0.50 -0.02 0.00 -1.17 -4.64 107.32 103.00 2vr6 s GLY 73 Ca 0.00 -0.51 0.15 0.00 0.00 0.00 0.00 44.72 44.36 2vr6 s GLY 73 CO 0.00 -0.31 2.12 -0.56 0.00 0.00 0.00 173.10 174.35 2vr6 h PRO 74 N 0.07 0.12 -0.00 2.90 0.13 -1.83 -1.47 132.00 131.92 2vr6 h PRO 74 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2vr6 h PRO 74 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2vr6 h PRO 74 CO 0.61 0.08 -0.02 1.63 -0.23 0.00 0.00 178.00 180.07 2vr6 n LYS 75 N -4.51 0.92 -3.46 0.86 5.02 -1.26 -4.87 118.16 110.86 2vr6 n LYS 75 Ca -0.01 -0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 55.79 2vr6 n LYS 75 Cb 0.13 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 2vr6 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vr6 s ASP 76 N -2.19 6.64 0.22 4.39 1.01 -0.56 -4.97 116.67 121.22 2vr6 s ASP 76 Ca 0.40 0.89 -0.04 0.00 0.71 0.00 0.00 52.55 54.50 2vr6 s ASP 76 Cb 0.21 -2.21 0.20 0.00 1.01 0.00 0.00 42.92 42.13 2vr6 s ASP 76 CO 0.40 0.00 1.65 -0.08 0.21 0.00 0.00 175.17 177.36 2vr6 h GLU 77 N 2.89 0.80 -5.64 8.23 4.57 -1.89 -3.36 114.58 120.18 2vr6 h GLU 77 Ca -0.47 -0.30 -0.62 0.00 -1.18 0.00 0.00 59.36 56.79 2vr6 h GLU 77 Cb 1.18 -0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 29.58 2vr6 h GLU 77 CO 0.69 0.91 0.83 -2.00 -1.18 0.00 0.00 179.01 178.26 2vr6 s GLU 78 N -4.71 3.28 0.16 1.92 2.56 -1.26 -4.96 118.70 115.69 2vr6 s GLU 78 Ca -0.10 -0.93 -0.17 0.00 0.00 0.00 0.00 54.97 53.78 2vr6 s GLU 78 Cb 0.13 -4.50 0.03 0.00 2.00 0.00 0.00 34.13 31.79 2vr6 s GLU 78 CO 0.83 -1.93 0.46 -0.98 -0.56 0.00 0.00 175.26 173.08 2vr6 s ARG 79 N 4.26 1.22 0.52 4.30 1.70 -1.22 -3.74 118.95 125.99 2vr6 s ARG 79 Ca 0.30 -0.78 -0.18 0.00 -0.47 0.00 0.00 55.73 54.60 2vr6 s ARG 79 Cb -0.10 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.70 2vr6 s ARG 79 CO 0.05 -0.50 1.03 -1.01 -1.08 0.00 0.00 175.30 173.78 2vr6 s HIS 80 N -3.84 3.10 0.27 5.89 3.76 -1.18 -4.70 115.29 118.58 2vr6 s HIS 80 Ca 0.06 1.54 -0.01 0.00 -0.15 0.00 0.00 55.06 56.50 2vr6 s HIS 80 Cb 0.01 -2.98 0.47 0.00 1.11 0.00 0.00 32.58 31.18 2vr6 s HIS 80 CO -0.08 -0.78 1.85 0.28 -0.85 0.00 0.00 174.74 175.16 2vr6 h VAL 81 N 1.12 0.98 0.00 -0.90 2.07 -1.86 -2.16 116.25 115.49 2vr6 h VAL 81 Ca -0.48 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2vr6 h VAL 81 Cb 1.21 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2vr6 h VAL 81 CO 0.59 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.98 2vr6 n GLY 82 N -1.35 -0.96 3.52 2.17 0.00 -0.49 -4.34 105.19 103.75 2vr6 n GLY 82 Ca 0.17 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.41 6.75 0.57 1.61 1.01 -0.82 -1.05 116.67 123.33 2vr6 s ASP 83 Ca 0.18 -2.20 -0.04 0.00 0.71 0.00 0.00 52.55 51.20 2vr6 s ASP 83 Cb 0.08 -2.49 0.01 0.00 1.01 0.00 0.00 42.92 41.53 2vr6 s ASP 83 CO 0.13 -1.14 0.86 -0.76 0.21 0.00 0.00 175.17 174.47 2vr6 s LEU 84 N 3.47 3.27 0.32 1.23 1.43 -1.14 -3.43 118.68 123.83 2vr6 s LEU 84 Ca 0.44 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.80 2vr6 s LEU 84 Cb -0.01 -3.36 -0.13 0.00 0.03 0.00 0.00 46.19 42.72 2vr6 s LEU 84 CO -0.03 -1.06 1.28 -1.14 0.23 0.00 0.00 176.35 175.64 2vr6 n ARG 85 N -2.50 2.04 -1.61 1.70 0.63 -1.26 -4.61 116.66 111.05 2vr6 n ARG 85 Ca 0.05 0.72 -0.39 0.00 -0.92 0.00 0.00 57.85 57.30 2vr6 n ARG 85 Cb 0.58 -2.29 0.04 0.00 0.45 0.00 0.00 32.46 31.24 2vr6 n ARG 85 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2vr6 n ASN 86 N 1.06 0.89 -4.93 6.15 3.02 -1.26 -4.51 115.26 115.67 2vr6 n ASN 86 Ca 0.06 0.89 -0.25 0.00 -0.03 0.00 0.00 54.58 55.25 2vr6 n ASN 86 Cb 0.35 -1.37 -0.02 0.00 -0.61 0.00 0.00 39.78 38.13 2vr6 n ASN 86 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2vr6 s VAL 87 N -1.44 5.14 -0.12 2.41 -7.23 -0.45 -4.88 120.40 113.82 2vr6 s VAL 87 Ca 0.70 -0.40 -0.01 0.00 -1.81 0.00 0.00 61.98 60.46 2vr6 s VAL 87 Cb -0.47 -3.80 0.03 0.00 0.56 0.00 0.00 36.38 32.71 2vr6 s VAL 87 CO 0.51 -0.37 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.00 2vr6 s THR 88 N -2.10 0.82 0.10 5.32 2.01 -1.26 -0.62 115.64 119.90 2vr6 s THR 88 Ca 0.39 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.93 2vr6 s THR 88 Cb -0.10 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 71.37 2vr6 s THR 88 CO 0.32 0.21 0.55 0.00 -0.69 0.00 0.00 174.62 175.01 2vr6 s ALA 89 N 1.78 3.60 1.02 7.40 0.00 -0.07 -4.32 121.76 131.16 2vr6 s ALA 89 Ca 0.03 -0.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 2vr6 s ALA 89 Cb -0.14 -2.56 0.18 0.00 0.00 0.00 0.00 23.12 20.60 2vr6 s ALA 89 CO -0.07 0.43 1.02 -0.25 0.00 0.00 0.00 175.76 176.89 2vr6 n ASP 90 N 1.34 -0.09 -0.34 0.00 8.00 -0.42 -1.08 116.55 123.96 2vr6 n ASP 90 Ca -0.09 -1.34 0.05 0.00 0.71 0.00 0.00 54.79 54.12 2vr6 n ASP 90 Cb 0.51 -0.79 0.20 0.00 -0.02 0.00 0.00 41.12 41.02 2vr6 n ASP 90 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2vr6 h LYS 91 N 0.00 0.94 0.00 -1.24 3.64 -1.96 -0.56 116.57 117.38 2vr6 h LYS 91 Ca -0.34 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2vr6 h LYS 91 Cb 0.93 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2vr6 h LYS 91 CO 0.23 0.62 0.00 -0.40 -2.27 0.00 0.00 179.45 177.63 2vr6 n ASP 92 N -4.64 0.00 0.00 4.20 5.68 -1.26 -4.73 116.55 115.80 2vr6 n ASP 92 Ca 0.17 -1.26 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 2vr6 n ASP 92 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 2vr6 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vr6 n GLY 93 N 0.28 0.80 3.60 6.12 0.00 -0.22 -4.73 105.19 111.04 2vr6 n GLY 93 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.04 4.90 -0.45 1.61 1.01 -1.26 -1.80 120.40 121.37 2vr6 s VAL 94 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 2vr6 s VAL 94 Cb 0.00 -3.26 0.09 0.00 0.00 0.00 0.00 36.38 33.21 2vr6 s VAL 94 CO 0.00 0.39 0.34 0.00 0.00 0.00 0.00 175.10 175.82 2vr6 s ALA 95 N 0.92 3.43 -0.31 5.51 0.00 0.52 -1.31 121.76 130.53 2vr6 s ALA 95 Ca 0.05 -2.22 -0.24 0.00 0.00 0.00 0.00 51.96 49.55 2vr6 s ALA 95 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2vr6 s ALA 95 CO 0.03 -1.74 0.83 -0.51 0.00 0.00 0.00 175.76 174.37 2vr6 s ASP 96 N 2.48 6.71 -0.14 0.00 -0.00 -1.26 -1.35 116.67 123.11 2vr6 s ASP 96 Ca 0.04 0.73 -0.05 0.00 -0.00 0.00 0.00 52.55 53.27 2vr6 s ASP 96 Cb -0.24 -2.43 -0.04 0.00 -0.00 0.00 0.00 42.92 40.21 2vr6 s ASP 96 CO 0.03 -0.65 0.04 -0.69 -0.00 0.00 0.00 175.17 173.90 2vr6 s VAL 97 N 3.06 4.60 -0.28 -1.27 1.01 0.15 -4.88 120.40 122.79 2vr6 s VAL 97 Ca 0.34 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2vr6 s VAL 97 Cb -0.14 -3.01 0.17 0.00 0.00 0.00 0.00 36.38 33.40 2vr6 s VAL 97 CO 0.13 0.54 0.52 -0.55 0.00 0.00 0.00 175.10 175.73 2vr6 s SER 98 N -0.26 -0.78 0.17 3.32 0.15 -1.25 -1.32 113.70 113.72 2vr6 s SER 98 Ca 0.07 0.39 -0.01 0.00 0.70 0.00 0.00 55.95 57.10 2vr6 s SER 98 Cb -0.12 1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.88 2vr6 s SER 98 CO 0.02 -0.29 0.08 0.27 1.20 0.00 0.00 173.24 174.52 2vr6 s ILE 99 N 2.73 0.11 -0.02 6.45 -4.36 0.18 -5.01 121.20 121.28 2vr6 s ILE 99 Ca 0.15 -1.96 0.04 0.00 -0.26 0.00 0.00 60.65 58.63 2vr6 s ILE 99 Cb -0.14 -2.26 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 2vr6 s ILE 99 CO -0.22 -0.25 -0.15 -1.61 0.24 0.00 0.00 174.94 172.95 2vr6 s GLU 100 N -4.09 1.28 -0.02 0.37 2.02 -1.26 -0.71 118.70 116.28 2vr6 s GLU 100 Ca 0.31 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.79 2vr6 s GLU 100 Cb 0.07 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 33.10 2vr6 s GLU 100 CO 0.07 0.29 -0.08 0.34 0.02 0.00 0.00 175.26 175.90 2vr6 s ASP 101 N -0.24 1.05 -0.05 -0.19 2.15 -0.23 -4.95 116.67 114.21 2vr6 s ASP 101 Ca 0.04 -0.16 0.15 0.00 0.43 0.00 0.00 52.55 53.00 2vr6 s ASP 101 Cb -0.07 -0.27 0.45 0.00 -0.30 0.00 0.00 42.92 42.74 2vr6 s ASP 101 CO -0.00 0.05 1.38 -1.20 -0.17 0.00 0.00 175.17 175.23 2vr6 n SER 102 N 3.28 3.51 -0.07 -0.34 7.64 -1.26 -0.74 113.62 125.65 2vr6 n SER 102 Ca -0.18 -2.23 -0.11 0.00 1.01 0.00 0.00 58.87 57.36 2vr6 n SER 102 Cb 0.55 -0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.61 0.75 -1.14 0.44 0.31 -1.26 -4.87 118.33 113.17 2vr6 n VAL 103 Ca 0.17 -0.25 -0.33 0.00 -0.01 0.00 0.00 64.34 63.92 2vr6 n VAL 103 Cb 0.60 -1.24 0.12 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.26 2.13 0.09 2.52 -4.36 -1.26 -4.85 121.20 113.20 2vr6 s ILE 104 Ca -0.18 0.05 -0.08 0.00 -0.26 0.00 0.00 60.65 60.18 2vr6 s ILE 104 Cb 0.06 -2.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.31 2vr6 s ILE 104 CO 0.28 -0.04 0.17 -0.55 0.24 0.00 0.00 174.94 175.04 2vr6 s SER 105 N -2.22 0.15 0.00 4.36 0.15 -1.04 -4.65 113.70 110.46 2vr6 s SER 105 Ca 0.72 -0.69 0.23 0.00 0.70 0.00 0.00 55.95 56.91 2vr6 s SER 105 Cb -0.28 0.33 0.45 0.00 -1.71 0.00 0.00 66.02 64.81 2vr6 s SER 105 CO 0.50 -0.72 1.41 0.18 1.20 0.00 0.00 173.24 175.81 2vr6 n LEU 106 N -0.05 3.25 -4.02 3.45 4.77 -1.26 -1.29 117.00 121.85 2vr6 n LEU 106 Ca -0.15 -1.38 -0.10 0.00 -0.03 0.00 0.00 56.01 54.36 2vr6 n LEU 106 Cb 0.62 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2vr6 n LEU 106 CO 0.23 0.69 0.15 -0.94 -1.33 0.00 0.00 177.39 176.19 2vr6 s SER 107 N -1.52 0.04 0.22 -1.43 1.04 -1.26 -4.79 113.70 105.99 2vr6 s SER 107 Ca 0.38 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2vr6 s SER 107 Cb 0.22 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.93 2vr6 s SER 107 CO 0.31 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2vr6 n GLY 108 N -0.40 -0.85 0.22 7.32 0.00 -1.26 -3.41 105.19 106.81 2vr6 n GLY 108 Ca -0.01 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.91 2vr6 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vr6 h ASP 109 N 1.14 0.00 -0.64 1.61 3.32 -2.01 -1.99 116.42 117.85 2vr6 h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vr6 h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2vr6 h ASP 109 CO 0.00 0.26 0.00 1.41 -1.72 0.00 0.00 179.24 179.19 2vr6 n HIS 110 N -3.74 1.59 -1.75 4.55 8.25 -1.26 -4.95 115.22 117.91 2vr6 n HIS 110 Ca -0.01 -0.63 -0.42 0.00 -0.26 0.00 0.00 57.72 56.39 2vr6 n HIS 110 Cb 0.37 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 3.45 0.00 -1.93 0.00 -5.35 -0.41 -4.94 119.36 110.19 2vr6 n ILE 112 Ca 0.14 -0.49 -0.42 0.00 -0.27 0.00 0.00 62.75 61.71 2vr6 n ILE 112 Cb 0.36 1.35 -0.03 0.00 -1.74 0.00 0.00 39.64 39.59 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 -1.51 2.52 0.00 7.28 -1.09 -1.26 -1.79 121.20 125.35 2vr6 s ILE 113 Ca 0.20 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 2vr6 s ILE 113 Cb 0.15 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2vr6 s ILE 113 CO 0.24 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 2vr6 n GLY 114 N 3.05 0.81 0.37 6.18 0.00 0.60 -5.00 105.19 111.21 2vr6 n GLY 114 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 2vr6 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vr6 n ARG 115 N -2.11 1.13 -5.23 1.61 1.74 -0.74 -2.55 116.66 110.51 2vr6 n ARG 115 Ca 0.00 -0.31 -0.32 0.00 -0.77 0.00 0.00 57.85 56.45 2vr6 n ARG 115 Cb 0.00 -0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.27 2vr6 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2vr6 s THR 116 N 0.32 2.07 -0.08 0.55 2.01 -1.00 -0.63 115.64 118.89 2vr6 s THR 116 Ca 0.05 -1.03 -0.16 0.00 0.31 0.00 0.00 61.69 60.86 2vr6 s THR 116 Cb -0.00 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 2vr6 s THR 116 CO 0.03 0.56 0.41 -0.22 -0.69 0.00 0.00 174.62 174.72 2vr6 s LEU 117 N 0.21 4.35 -0.05 4.42 2.96 -0.42 -0.25 118.68 129.91 2vr6 s LEU 117 Ca -0.15 0.82 0.03 0.00 -0.22 0.00 0.00 54.13 54.60 2vr6 s LEU 117 Cb -0.17 -2.59 0.01 0.00 0.50 0.00 0.00 46.19 43.94 2vr6 s LEU 117 CO 0.08 0.15 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.44 2vr6 s VAL 118 N -0.10 1.16 -0.09 1.68 1.01 0.09 -1.82 120.40 122.33 2vr6 s VAL 118 Ca 0.23 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2vr6 s VAL 118 Cb -0.15 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2vr6 s VAL 118 CO 0.10 0.35 -0.04 0.54 0.00 0.00 0.00 175.10 176.05 2vr6 s VAL 119 N 0.34 3.92 0.28 2.92 0.11 -0.58 -1.53 120.40 125.86 2vr6 s VAL 119 Ca -0.08 -0.38 0.08 0.00 -2.93 0.00 0.00 61.98 58.66 2vr6 s VAL 119 Cb -0.13 -2.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.04 2vr6 s VAL 119 CO 0.02 0.58 0.13 -1.00 -3.33 0.00 0.00 175.10 171.51 2vr6 s HIS 120 N -0.58 2.89 0.25 1.54 3.76 0.03 -1.02 115.29 122.16 2vr6 s HIS 120 Ca 0.09 -0.21 -0.06 0.00 -0.15 0.00 0.00 55.06 54.73 2vr6 s HIS 120 Cb -0.12 -1.42 0.28 0.00 1.11 0.00 0.00 32.58 32.44 2vr6 s HIS 120 CO 0.02 0.49 1.91 1.49 -0.85 0.00 0.00 174.74 177.80 2vr6 h GLU 121 N 1.60 1.24 0.00 1.40 4.81 -0.89 -3.37 114.58 119.36 2vr6 h GLU 121 Ca -0.46 -0.07 -0.49 0.00 -0.13 0.00 0.00 59.36 58.21 2vr6 h GLU 121 Cb 1.25 -0.28 -0.13 0.00 0.63 0.00 0.00 28.75 30.22 2vr6 h GLU 121 CO 0.61 0.82 -0.47 0.36 -0.73 0.00 0.00 179.01 179.60 2vr6 n LYS 122 N -4.44 0.43 -1.80 1.92 0.00 -0.50 -4.91 118.16 108.87 2vr6 n LYS 122 Ca 0.12 -3.35 -0.40 0.00 -0.00 0.00 0.00 58.31 54.69 2vr6 n LYS 122 Cb 0.05 2.62 0.01 0.00 -0.00 0.00 0.00 35.03 37.72 2vr6 n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2vr6 s ALA 123 N -3.32 3.29 -0.01 0.58 0.00 -1.12 -0.89 121.76 120.29 2vr6 s ALA 123 Ca 0.37 1.49 -0.30 0.00 0.00 0.00 0.00 51.96 53.52 2vr6 s ALA 123 Cb 0.02 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2vr6 s ALA 123 CO 0.26 -1.18 1.22 0.34 0.00 0.00 0.00 175.76 176.41 2vr6 s ASP 124 N -0.45 7.04 0.00 0.00 -1.08 -1.26 -3.97 116.67 116.95 2vr6 s ASP 124 Ca 0.60 1.91 0.21 0.00 -0.52 0.00 0.00 52.55 54.75 2vr6 s ASP 124 Cb -0.44 -2.56 1.17 0.00 -1.46 0.00 0.00 42.92 39.63 2vr6 s ASP 124 CO 0.57 -0.56 1.76 -0.90 0.52 0.00 0.00 175.17 176.57 2vr6 n ASP 125 N 4.82 0.23 -0.63 -0.34 5.68 -0.13 -4.91 116.55 121.27 2vr6 n ASP 125 Ca 0.11 -1.40 -0.08 0.00 -0.50 0.00 0.00 54.79 52.91 2vr6 n ASP 125 Cb 0.46 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.39 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 -0.66 -0.51 -0.06 -2.12 4.77 -1.26 -1.40 117.00 115.75 2vr6 n LEU 126 Ca 0.16 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 2vr6 n LEU 126 Cb 0.11 -1.62 -0.00 0.00 -2.33 0.00 0.00 43.42 39.58 2vr6 n LEU 126 CO 0.12 -0.52 -0.01 0.61 -1.33 0.00 0.00 177.39 176.26 2vr6 n GLY 127 N -1.61 0.47 0.42 -0.72 0.00 -1.23 -3.04 105.19 99.47 2vr6 n GLY 127 Ca -0.08 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.40 2.33 -1.84 1.61 4.76 -0.49 -4.58 118.16 117.55 2vr6 n LYS 128 Ca -0.01 -2.42 -0.29 0.00 -2.87 0.00 0.00 58.31 52.72 2vr6 n LYS 128 Cb 0.10 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 31.89 2vr6 n LYS 128 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2vr6 s GLY 129 N -2.00 1.61 -0.62 0.72 0.00 -1.25 -4.99 107.32 100.79 2vr6 s GLY 129 Ca 0.29 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.33 2vr6 s GLY 129 CO 0.06 -0.16 1.76 0.61 0.00 0.00 0.00 173.10 175.37 2vr6 n GLY 130 N -3.16 5.89 3.40 0.20 0.00 -1.26 -4.85 105.19 105.40 2vr6 n GLY 130 Ca 0.09 -2.49 -0.10 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.17 0.03 0.26 1.61 2.20 -1.26 -5.06 114.94 110.55 2vr6 s ASN 131 Ca 0.56 -1.15 -0.04 0.00 -0.94 0.00 0.00 52.86 51.30 2vr6 s ASN 131 Cb 0.46 0.48 0.36 0.00 -2.00 0.00 0.00 41.25 40.55 2vr6 s ASN 131 CO -0.14 -0.99 1.91 -0.33 -2.94 0.00 0.00 177.10 174.61 2vr6 h GLU 132 N 2.44 1.21 0.00 3.55 5.08 -2.02 -2.80 114.58 122.04 2vr6 h GLU 132 Ca -0.31 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2vr6 h GLU 132 Cb 1.25 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2vr6 h GLU 132 CO 0.44 0.80 -0.07 1.49 -1.00 0.00 0.00 179.01 180.67 2vr6 h GLU 133 N 1.24 0.00 -0.93 2.33 4.57 -1.97 -2.64 114.58 117.18 2vr6 h GLU 133 Ca 0.40 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.74 2vr6 h GLU 133 Cb 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.51 2vr6 h GLU 133 CO -0.13 0.07 0.53 1.03 -1.18 0.00 0.00 179.01 179.33 2vr6 h SER 134 N 0.00 0.69 -0.40 1.04 0.87 -1.82 -0.11 113.55 113.81 2vr6 h SER 134 Ca -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2vr6 h SER 134 Cb 0.17 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2vr6 h SER 134 CO 0.01 0.29 0.00 0.35 -0.53 0.00 0.00 176.83 176.94 2vr6 n THR 135 N -4.79 0.53 -0.13 2.23 -2.24 -1.00 -1.86 114.28 107.03 2vr6 n THR 135 Ca 0.20 -0.56 -0.26 0.00 -2.27 0.00 0.00 64.05 61.16 2vr6 n THR 135 Cb 0.47 0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.74 0.55 0.00 -0.78 5.02 -0.22 -1.18 118.16 122.28 2vr6 n LYS 136 Ca 0.15 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2vr6 n LYS 136 Cb 0.37 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 -4.19 0.00 -0.85 -0.18 -2.24 -0.25 -4.46 114.28 102.11 2vr6 n THR 137 Ca -0.47 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2vr6 n THR 137 Cb 0.82 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.99 0.70 3.74 3.38 0.00 -0.77 -4.40 105.19 108.83 2vr6 n GLY 138 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.21 -0.68 1.61 3.02 -1.26 -0.96 115.26 112.78 2vr6 n ASN 139 Ca 0.00 -0.71 0.06 0.00 -0.03 0.00 0.00 54.58 53.91 2vr6 n ASN 139 Cb 0.00 -4.34 0.19 0.00 -0.61 0.00 0.00 39.78 35.01 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 -4.64 2.45 -0.47 5.41 0.00 -1.25 -4.78 120.51 117.23 2vr6 n ALA 140 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2vr6 n ALA 140 Cb 0.58 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.10 -0.16 3.74 0.00 0.00 -1.26 -1.40 105.19 107.20 2vr6 n GLY 141 Ca 0.13 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 3.88 -0.53 1.61 1.04 -1.26 -4.60 113.70 109.84 2vr6 s SER 142 Ca 0.00 1.59 -0.20 0.00 0.48 0.00 0.00 55.95 57.83 2vr6 s SER 142 Cb 0.00 -2.28 0.06 0.00 0.10 0.00 0.00 66.02 63.90 2vr6 s SER 142 CO 0.00 -2.40 0.69 -0.13 0.98 0.00 0.00 173.24 172.38 2vr6 s ARG 143 N -4.93 3.14 0.06 4.02 0.52 -1.26 -0.90 118.95 119.60 2vr6 s ARG 143 Ca 0.62 -0.86 -0.13 0.00 -0.52 0.00 0.00 55.73 54.85 2vr6 s ARG 143 Cb -0.17 -4.12 -0.28 0.00 0.52 0.00 0.00 34.95 30.90 2vr6 s ARG 143 CO 0.56 -1.32 1.11 -0.07 0.02 0.00 0.00 175.30 175.61 2vr6 h LEU 144 N 9.96 0.80 -7.30 2.53 3.38 -1.39 -3.47 115.31 119.82 2vr6 h LEU 144 Ca -0.28 -0.76 -0.05 0.00 0.09 0.00 0.00 57.88 56.88 2vr6 h LEU 144 Cb 1.09 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 41.44 2vr6 h LEU 144 CO 1.00 1.57 -0.02 0.00 0.09 0.00 0.00 178.44 181.08 2vr6 s ALA 145 N -2.93 -1.11 0.21 1.53 0.00 -1.19 -4.18 121.76 114.07 2vr6 s ALA 145 Ca -0.08 0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 2vr6 s ALA 145 Cb 0.06 0.58 0.05 0.00 0.00 0.00 0.00 23.12 23.80 2vr6 s ALA 145 CO 0.93 -0.59 0.75 0.00 0.00 0.00 0.00 175.76 176.84 2vr6 s GLY 147 N -2.85 -0.48 0.17 0.00 0.00 -0.75 -1.12 107.32 102.28 2vr6 s GLY 147 Ca 0.08 0.55 -0.29 0.00 0.00 0.00 0.00 44.72 45.06 2vr6 s GLY 147 CO 0.00 0.18 0.90 0.14 0.00 0.00 0.00 173.10 174.32 2vr6 s VAL 148 N -3.53 4.30 -0.33 1.40 1.01 -1.26 -1.31 120.40 120.68 2vr6 s VAL 148 Ca 0.04 1.97 -0.27 0.00 0.00 0.00 0.00 61.98 63.72 2vr6 s VAL 148 Cb -0.02 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2vr6 s VAL 148 CO -0.08 0.44 0.99 -0.63 0.00 0.00 0.00 175.10 175.82 2vr6 s ILE 149 N -0.76 4.57 0.23 2.22 1.01 0.20 -4.52 121.20 124.15 2vr6 s ILE 149 Ca 0.41 1.49 0.08 0.00 0.00 0.00 0.00 60.65 62.64 2vr6 s ILE 149 Cb -0.24 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 2vr6 s ILE 149 CO 0.29 -0.47 0.05 -0.83 0.00 0.00 0.00 174.94 173.98 2vr6 s GLY 150 N 1.73 1.62 0.16 6.18 0.00 0.19 -0.29 107.32 116.90 2vr6 s GLY 150 Ca 0.41 -1.51 -0.31 0.00 0.00 0.00 0.00 44.72 43.32 2vr6 s GLY 150 CO 0.16 -1.55 1.43 -0.42 0.00 0.00 0.00 173.10 172.72 2vr6 s ILE 151 N -2.10 3.04 0.34 0.90 1.01 -1.26 -0.78 121.20 122.34 2vr6 s ILE 151 Ca 0.31 0.77 0.09 0.00 0.00 0.00 0.00 60.65 61.82 2vr6 s ILE 151 Cb -0.08 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 2vr6 s ILE 151 CO 0.21 0.08 -0.03 0.00 0.00 0.00 0.00 174.94 175.19 2vr6 s ALA 152 N 0.83 3.10 -2.00 9.38 0.00 -0.50 -4.79 121.76 127.78 2vr6 s ALA 152 Ca 0.64 -1.99 0.23 0.00 0.00 0.00 0.00 51.96 50.85 2vr6 s ALA 152 Cb -0.39 -0.28 1.39 0.00 0.00 0.00 0.00 23.12 23.84 2vr6 s ALA 152 CO 0.33 0.09 1.76 0.94 0.00 0.00 0.00 175.76 178.88